2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile

C245H147N29 — CID 162188288

IUPAC2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4c(C#N)cc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc([N+]#[C-])c1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)cc2)cc([N+]#[C-])c1-c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/3C62H36N8.C59H39N5/c1-65-57-35-48(56-38-55(45-21-17-41(39-63)18-22-45)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-27-25-43(26-28-46)44-29-31-51(32-30-44)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;1-65-57-35-48(43-25-27-45(28-26-43)56-38-55(44-21-17-41(39-63)18-22-44)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-29-31-51(32-30-46)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;63-37-41-15-19-44(20-16-41)57-36-58(68-62(67-57)47-21-17-42(38-64)18-22-47)45-23-25-46(26-24-45)61-49(39-65)33-48(34-50(61)40-66)43-27-29-53(30-28-43)70-59-14-8-7-13-55(59)56-35-54(31-32-60(56)70)69(51-9-3-1-4-10-51)52-11-5-2-6-12-52;60-40-47-37-50(64-57-24-14-13-23-53(57)54-38-51(34-36-58(54)64)63(48-19-9-3-10-20-48)49-21-11-4-12-22-49)33-35-52(47)43-29-25-41(26-30-43)42-27-31-45(32-28-42)56-39-55(44-15-5-1-6-16-44)61-59(62-56)46-17-7-2-8-18-46/h2*3-38H;1-36H;1-39H
InChIKeyZPYJJBDXAKDZKY-UHFFFAOYSA-N
MW3497.07 g/mol
LogP62.56
Rot. Bonds36

About 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile

2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile (PubChem CID 162188288) has the molecular formula C245H147N29 and a molecular weight of 3497.07 g/mol. Its IUPAC name is 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
PubChem CID162188288
Molecular FormulaC245H147N29
Molecular Weight3497.07 g/mol
Exact Mass3494.24
IUPAC Name2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4c(C#N)cc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc([N+]#[C-])c1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)cc2)cc([N+]#[C-])c1-c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/3C62H36N8.C59H39N5/c1-65-57-35-48(56-38-55(45-21-17-41(39-63)18-22-45)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-27-25-43(26-28-46)44-29-31-51(32-30-44)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;1-65-57-35-48(43-25-27-45(28-26-43)56-38-55(44-21-17-41(39-63)18-22-44)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-29-31-51(32-30-46)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;63-37-41-15-19-44(20-16-41)57-36-58(68-62(67-57)47-21-17-42(38-64)18-22-47)45-23-25-46(26-24-45)61-49(39-65)33-48(34-50(61)40-66)43-27-29-53(30-28-43)70-59-14-8-7-13-55(59)56-35-54(31-32-60(56)70)69(51-9-3-1-4-10-51)52-11-5-2-6-12-52;60-40-47-37-50(64-57-24-14-13-23-53(57)54-38-51(34-36-58(54)64)63(48-19-9-3-10-20-48)49-21-11-4-12-22-49)33-35-52(47)43-29-25-41(26-30-43)42-27-31-45(32-28-42)56-39-55(44-15-5-1-6-16-44)61-59(62-56)46-17-7-2-8-18-46/h2*3-38H;1-36H;1-39H
InChIKeyZPYJJBDXAKDZKY-UHFFFAOYSA-N
XLogP62.56
TPSA367.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003497.07
LogP ≤ 562.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile
CID 161428686
5-[3-(N-(4-cyanophenyl)anilino)-6-(N-(4-isocyanophenyl)anilino)carbazol-9-yl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140779396
5-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-2-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
CID 126734829
2-[4-[3-(4-cyano-N-(4-cyanophenyl)anilino)-6-(N-phenylanilino)carbazol-9-yl]phenyl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 126734601
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-[3-(4-isocyano-N-(4-isocyanophenyl)anilino)carbazol-9-yl]phenyl]benzonitrile
CID 140779542
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725
5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730302
4-(4-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile
CID 126734391
2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile
CID 159647613
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126730712
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 126730724
4-[2-(4-cyanophenyl)-6-[4-[4-[3-isocyano-4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile
CID 140779783

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile (CID 162188288) is 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4c(C#N)cc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc([N+]#[C-])c1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)cc2)cc([N+]#[C-])c1-c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile?
The InChIKey is ZPYJJBDXAKDZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C62H36N8.C59H39N5/c1-65-57-35-48(56-38-55(45-21-17-41(39-63)18-22-45)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-27-25-43(26-28-46)44-29-31-51(32-30-44)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;1-65-57-35-48(43-25-27-45(28-26-43)56-38-55(44-21-17-41(39-63)18-22-44)67-62(68-56)47-23-19-42(40-64)20-24-47)36-58(66-2)61(57)46-29-31-51(32-30-46)70-59-16-10-9-15-53(59)54-37-52(33-34-60(54)70)69(49-11-5-3-6-12-49)50-13-7-4-8-14-50;63-37-41-15-19-44(20-16-41)57-36-58(68-62(67-57)47-21-17-42(38-64)18-22-47)45-23-25-46(26-24-45)61-49(39-65)33-48(34-50(61)40-66)43-27-29-53(30-28-43)70-59-14-8-7-13-55(59)56-35-54(31-32-60(56)70)69(51-9-3-1-4-10-51)52-11-5-2-6-12-52;60-40-47-37-50(64-57-24-14-13-23-53(57)54-38-51(34-36-58(54)64)63(48-19-9-3-10-20-48)49-21-11-4-12-22-49)33-35-52(47)43-29-25-41(26-30-43)42-27-31-45(32-28-42)56-39-55(44-15-5-1-6-16-44)61-59(62-56)46-17-7-2-8-18-46/h2*3-38H;1-36H;1-39H.
What are the key properties of 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile?
2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile has a molecular weight of 3497.07 g/mol, XLogP of 62.56, 36 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[2-(4-cyanophenyl)-6-[3,5-diisocyano-4-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,5-diisocyano-4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]pyrimidin-4-yl]benzonitrile;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 162188288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).