2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile

C258H164N16 — CID 158005117

IUPAC2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile
SMILES[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(C#N)cc5)c5ccc(C(C)C)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc(C#N)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cccc(C#N)c5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)c1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4C#N)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C69H50N4.3C63H38N4/c1-43(2)46-16-27-53(28-17-46)72(52-25-14-45(42-70)15-26-52)56-33-37-59-49(40-56)20-35-61-62-36-21-50-41-57(73(55-31-23-51(71-5)24-32-55)54-29-18-47(19-30-54)44(3)4)34-38-60(50)68(62)69(67(59)61)64-13-9-8-12-63(64)66-58-11-7-6-10-48(58)22-39-65(66)69;1-65-57-25-13-15-27-59(57)67(46-20-6-3-7-21-46)48-32-36-51-43(39-48)29-34-53-52-33-28-42-38-47(66(45-18-4-2-5-19-45)58-26-14-9-17-44(58)40-64)31-35-50(42)61(52)63(62(51)53)55-24-12-11-23-54(55)60-49-22-10-8-16-41(49)30-37-56(60)63;1-65-45-16-13-22-49(39-45)67(47-19-6-3-7-20-47)51-30-34-54-44(38-51)27-32-56-55-31-26-43-37-50(66(46-17-4-2-5-18-46)48-21-12-14-41(36-48)40-64)29-33-53(43)61(55)63(62(54)56)58-25-11-10-24-57(58)60-52-23-9-8-15-42(52)28-35-59(60)63;1-65-45-25-29-49(30-26-45)67(47-15-6-3-7-16-47)51-32-36-54-44(39-51)23-34-56-55-33-22-43-38-50(66(46-13-4-2-5-14-46)48-27-20-41(40-64)21-28-48)31-35-53(43)61(55)63(62(54)56)58-19-11-10-18-57(58)60-52-17-9-8-12-42(52)24-37-59(60)63/h6-41,43-44H,1-4H3;3*2-39H
InChIKeyFEESUEJOKSPSTR-UHFFFAOYSA-N
MW3488.26 g/mol
LogP69.65
Rot. Bonds26

About 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile

2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile (PubChem CID 158005117) has the molecular formula C258H164N16 and a molecular weight of 3488.26 g/mol. Its IUPAC name is 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile.

Molecular Properties

Compound Name2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile
PubChem CID158005117
Molecular FormulaC258H164N16
Molecular Weight3488.26 g/mol
Exact Mass3485.33
IUPAC Name2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile
SMILES[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(C#N)cc5)c5ccc(C(C)C)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc(C#N)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cccc(C#N)c5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)c1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4C#N)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C69H50N4.3C63H38N4/c1-43(2)46-16-27-53(28-17-46)72(52-25-14-45(42-70)15-26-52)56-33-37-59-49(40-56)20-35-61-62-36-21-50-41-57(73(55-31-23-51(71-5)24-32-55)54-29-18-47(19-30-54)44(3)4)34-38-60(50)68(62)69(67(59)61)64-13-9-8-12-63(64)66-58-11-7-6-10-48(58)22-39-65(66)69;1-65-57-25-13-15-27-59(57)67(46-20-6-3-7-21-46)48-32-36-51-43(39-48)29-34-53-52-33-28-42-38-47(66(45-18-4-2-5-19-45)58-26-14-9-17-44(58)40-64)31-35-50(42)61(52)63(62(51)53)55-24-12-11-23-54(55)60-49-22-10-8-16-41(49)30-37-56(60)63;1-65-45-16-13-22-49(39-45)67(47-19-6-3-7-20-47)51-30-34-54-44(38-51)27-32-56-55-31-26-43-37-50(66(46-17-4-2-5-18-46)48-21-12-14-41(36-48)40-64)29-33-53(43)61(55)63(62(54)56)58-25-11-10-24-57(58)60-52-23-9-8-15-42(52)28-35-59(60)63;1-65-45-25-29-49(30-26-45)67(47-15-6-3-7-16-47)51-32-36-54-44(39-51)23-34-56-55-33-22-43-38-50(66(46-13-4-2-5-14-46)48-27-20-41(40-64)21-28-48)31-35-53(43)61(55)63(62(54)56)58-19-11-10-18-57(58)60-52-17-9-8-12-42(52)24-37-59(60)63/h6-41,43-44H,1-4H3;3*2-39H
InChIKeyFEESUEJOKSPSTR-UHFFFAOYSA-N
XLogP69.65
TPSA138.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.26
LogP ≤ 569.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile?
The IUPAC name of 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile (CID 158005117) is 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile.
What is the SMILES notation for 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile?
The canonical SMILES for 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile is [C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(C#N)cc5)c5ccc(C(C)C)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc(C#N)cc5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)cc1.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cccc(C#N)c5)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)c1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4C#N)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile?
The InChIKey is FEESUEJOKSPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4.3C63H38N4/c1-43(2)46-16-27-53(28-17-46)72(52-25-14-45(42-70)15-26-52)56-33-37-59-49(40-56)20-35-61-62-36-21-50-41-57(73(55-31-23-51(71-5)24-32-55)54-29-18-47(19-30-54)44(3)4)34-38-60(50)68(62)69(67(59)61)64-13-9-8-12-63(64)66-58-11-7-6-10-48(58)22-39-65(66)69;1-65-57-25-13-15-27-59(57)67(46-20-6-3-7-21-46)48-32-36-51-43(39-48)29-34-53-52-33-28-42-38-47(66(45-18-4-2-5-19-45)58-26-14-9-17-44(58)40-64)31-35-50(42)61(52)63(62(51)53)55-24-12-11-23-54(55)60-49-22-10-8-16-41(49)30-37-56(60)63;1-65-45-16-13-22-49(39-45)67(47-19-6-3-7-20-47)51-30-34-54-44(38-51)27-32-56-55-31-26-43-37-50(66(46-17-4-2-5-18-46)48-21-12-14-41(36-48)40-64)29-33-53(43)61(55)63(62(54)56)58-25-11-10-24-57(58)60-52-23-9-8-15-42(52)28-35-59(60)63;1-65-45-25-29-49(30-26-45)67(47-15-6-3-7-16-47)51-32-36-54-44(39-51)23-34-56-55-33-22-43-38-50(66(46-13-4-2-5-14-46)48-27-20-41(40-64)21-28-48)31-35-53(43)61(55)63(62(54)56)58-19-11-10-18-57(58)60-52-17-9-8-12-42(52)24-37-59(60)63/h6-41,43-44H,1-4H3;3*2-39H.
What are the key properties of 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile?
2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile has a molecular weight of 3488.26 g/mol, XLogP of 69.65, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[17'-(N-(2-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;3-(N-[17'-(N-(3-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)anilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]anilino)benzonitrile;4-(N-[17'-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]-4-propan-2-ylanilino)benzonitrile is sourced from PubChem (CID 158005117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).