16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile

C184H102B3N15 — CID 163468745

IUPAC16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccccc2)c2ccccc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C84H46BN5.C56H32BN5.C44H24BN5/c1-87-79-83(67(48-86)82-78-84(79)90-71-41-19-17-27-54(71)64-37-21-39-69(81(64)90)85(78)68-38-20-36-63-53-26-16-18-40-70(53)89(82)80(63)68)88-72-44-42-51(76-59-32-12-8-28-55(59)74(49-22-4-2-5-23-49)56-29-9-13-33-60(56)76)46-65(72)66-47-52(43-45-73(66)88)77-61-34-14-10-30-57(61)75(50-24-6-3-7-25-50)58-31-11-15-35-62(58)77;1-59-51-55(60(39-30-26-37(27-31-39)35-14-4-2-5-15-35)40-32-28-38(29-33-40)36-16-6-3-7-17-36)45(34-58)54-50-56(51)62-49-25-11-9-19-42(49)44-21-13-23-47(53(44)62)57(50)46-22-12-20-43-41-18-8-10-24-48(41)61(54)52(43)46;1-47-39-43(48(27-14-4-2-5-15-27)28-16-6-3-7-17-28)33(26-46)42-38-44(39)50-37-25-11-9-19-30(37)32-21-13-23-35(41(32)50)45(38)34-22-12-20-31-29-18-8-10-24-36(29)49(42)40(31)34/h2-47H;2-33H;2-25H
InChIKeyBUVQJAQYQLGEBZ-UHFFFAOYSA-N
MW2555.38 g/mol
LogP40.99
Rot. Bonds13

About 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile

16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile (PubChem CID 163468745) has the molecular formula C184H102B3N15 and a molecular weight of 2555.38 g/mol. Its IUPAC name is 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile.

Molecular Properties

Compound Name16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile
PubChem CID163468745
Molecular FormulaC184H102B3N15
Molecular Weight2555.38 g/mol
Exact Mass2553.87
IUPAC Name16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccccc2)c2ccccc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C84H46BN5.C56H32BN5.C44H24BN5/c1-87-79-83(67(48-86)82-78-84(79)90-71-41-19-17-27-54(71)64-37-21-39-69(81(64)90)85(78)68-38-20-36-63-53-26-16-18-40-70(53)89(82)80(63)68)88-72-44-42-51(76-59-32-12-8-28-55(59)74(49-22-4-2-5-23-49)56-29-9-13-33-60(56)76)46-65(72)66-47-52(43-45-73(66)88)77-61-34-14-10-30-57(61)75(50-24-6-3-7-25-50)58-31-11-15-35-62(58)77;1-59-51-55(60(39-30-26-37(27-31-39)35-14-4-2-5-15-35)40-32-28-38(29-33-40)36-16-6-3-7-17-36)45(34-58)54-50-56(51)62-49-25-11-9-19-42(49)44-21-13-23-47(53(44)62)57(50)46-22-12-20-43-41-18-8-10-24-48(41)61(54)52(43)46;1-47-39-43(48(27-14-4-2-5-15-27)28-16-6-3-7-17-28)33(26-46)42-38-44(39)50-37-25-11-9-19-30(37)32-21-13-23-35(41(32)50)45(38)34-22-12-20-31-29-18-8-10-24-36(29)49(42)40(31)34/h2-47H;2-33H;2-25H
InChIKeyBUVQJAQYQLGEBZ-UHFFFAOYSA-N
XLogP40.99
TPSA125.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.38
LogP ≤ 540.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile with MolForge

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Related Compounds

24-[3,6-bis(4-phenylphenyl)carbazol-9-yl]-25-isocyano-21-phenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene-23-carbonitrile
CID 162774060
16-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15,17-dicarbonitrile
CID 162774115
2,4-di(carbazol-9-yl)-5-isocyano-3,6-bis(3-phenyl-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile
CID 156680162
4-carbazol-9-yl-2,6-bis(3,6-diphenyl-9H-fluoren-9-yl)-5-isocyanobenzene-1,3-dicarbonitrile
CID 158953313
2,6-bis(3,6-dimethylcarbazol-9-yl)-3,5-diphenyl-4-(N-phenylanilino)benzonitrile
CID 137369299
5-isocyano-2,4-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 156680360
3-(12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)-5-isocyano-2,4-diphenyl-6-(3-phenyl-[1]benzothiolo[2,3-a]carbazol-12-yl)benzonitrile
CID 172519603
4,5-di(carbazol-9-yl)-2-isocyano-3,6-diphenylbenzonitrile
CID 170652188
2-(3,6-diphenylcarbazol-9-yl)-3-isocyano-4,6-diphenylbenzonitrile
CID 164835705
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2-[3-[N-[9-(2,6-diisocyanophenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140810317
2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 146739965

Frequently Asked Questions

What is the IUPAC name of 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile?
The IUPAC name of 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile (CID 163468745) is 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile.
What is the SMILES notation for 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile?
The canonical SMILES for 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile is [C-]#[N+]c1c(-n2c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc32)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.[C-]#[N+]c1c(N(c2ccccc2)c2ccccc2)c(C#N)c2c3c1-n1c4ccccc4c4cccc(c41)B3c1cccc3c4ccccc4n-2c13.
What is the InChIKey of 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile?
The InChIKey is BUVQJAQYQLGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H46BN5.C56H32BN5.C44H24BN5/c1-87-79-83(67(48-86)82-78-84(79)90-71-41-19-17-27-54(71)64-37-21-39-69(81(64)90)85(78)68-38-20-36-63-53-26-16-18-40-70(53)89(82)80(63)68)88-72-44-42-51(76-59-32-12-8-28-55(59)74(49-22-4-2-5-23-49)56-29-9-13-33-60(56)76)46-65(72)66-47-52(43-45-73(66)88)77-61-34-14-10-30-57(61)75(50-24-6-3-7-25-50)58-31-11-15-35-62(58)77;1-59-51-55(60(39-30-26-37(27-31-39)35-14-4-2-5-15-35)40-32-28-38(29-33-40)36-16-6-3-7-17-36)45(34-58)54-50-56(51)62-49-25-11-9-19-42(49)44-21-13-23-47(53(44)62)57(50)46-22-12-20-43-41-18-8-10-24-48(41)61(54)52(43)46;1-47-39-43(48(27-14-4-2-5-15-27)28-16-6-3-7-17-28)33(26-46)42-38-44(39)50-37-25-11-9-19-30(37)32-21-13-23-35(41(32)50)45(38)34-22-12-20-31-29-18-8-10-24-36(29)49(42)40(31)34/h2-47H;2-33H;2-25H.
What are the key properties of 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile?
16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile has a molecular weight of 2555.38 g/mol, XLogP of 40.99, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[3,6-bis(10-phenylanthracen-9-yl)carbazol-9-yl]-17-isocyano-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(N-phenylanilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile;17-isocyano-16-(4-phenyl-N-(4-phenylphenyl)anilino)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15-carbonitrile is sourced from PubChem (CID 163468745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).