9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile

C152H93N13O — CID 158110056

IUPAC9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)cc1
InChIInChI=1S/C99H57N9.C53H36N4O/c100-58-62-31-39-87-79(47-62)80-48-63(59-101)32-40-88(80)105(87)96-95(78-52-76(70-27-15-5-16-28-70)51-77(53-78)71-29-17-6-18-30-71)97(106-89-41-33-64(60-102)49-81(89)82-50-65(61-103)34-42-90(82)106)99(108-93-45-37-74(68-23-11-3-12-24-68)56-85(93)86-57-75(38-46-94(86)108)69-25-13-4-14-26-69)104-98(96)107-91-43-35-72(66-19-7-1-8-20-66)54-83(91)84-55-73(36-44-92(84)107)67-21-9-2-10-22-67;1-5-15-39(16-6-1)55(40-17-7-2-8-18-40)43-26-29-49-47(35-43)48-36-44(56(41-19-9-3-10-20-41)42-21-11-4-12-22-42)27-30-50(48)57(49)53-34-38(31-32-54-53)37-25-28-46-45-23-13-14-24-51(45)58-52(46)33-37/h1-57H;1-36H
InChIKeyFQHVYOXQUJUJSF-UHFFFAOYSA-N
MW2117.51 g/mol
LogP39.31
Rot. Bonds19

About 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile

9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 158110056) has the molecular formula C152H93N13O and a molecular weight of 2117.51 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
PubChem CID158110056
Molecular FormulaC152H93N13O
Molecular Weight2117.51 g/mol
Exact Mass2115.76
IUPAC Name9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)cc1
InChIInChI=1S/C99H57N9.C53H36N4O/c100-58-62-31-39-87-79(47-62)80-48-63(59-101)32-40-88(80)105(87)96-95(78-52-76(70-27-15-5-16-28-70)51-77(53-78)71-29-17-6-18-30-71)97(106-89-41-33-64(60-102)49-81(89)82-50-65(61-103)34-42-90(82)106)99(108-93-45-37-74(68-23-11-3-12-24-68)56-85(93)86-57-75(38-46-94(86)108)69-25-13-4-14-26-69)104-98(96)107-91-43-35-72(66-19-7-1-8-20-66)54-83(91)84-55-73(36-44-92(84)107)67-21-9-2-10-22-67;1-5-15-39(16-6-1)55(40-17-7-2-8-18-40)43-26-29-49-47(35-43)48-36-44(56(41-19-9-3-10-20-41)42-21-11-4-12-22-42)27-30-50(48)57(49)53-34-38(31-32-54-53)37-25-28-46-45-23-13-14-24-51(45)58-52(46)33-37/h1-57H;1-36H
InChIKeyFQHVYOXQUJUJSF-UHFFFAOYSA-N
XLogP39.31
TPSA165.21 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.51
LogP ≤ 539.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
CID 149392924
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 167175596
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
4-[4-(7-dibenzofuran-3-ylpyren-2-yl)-N-pyridin-3-ylanilino]benzonitrile
CID 90308117
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile (CID 158110056) is 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The InChIKey is FQHVYOXQUJUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H57N9.C53H36N4O/c100-58-62-31-39-87-79(47-62)80-48-63(59-101)32-40-88(80)105(87)96-95(78-52-76(70-27-15-5-16-28-70)51-77(53-78)71-29-17-6-18-30-71)97(106-89-41-33-64(60-102)49-81(89)82-50-65(61-103)34-42-90(82)106)99(108-93-45-37-74(68-23-11-3-12-24-68)56-85(93)86-57-75(38-46-94(86)108)69-25-13-4-14-26-69)104-98(96)107-91-43-35-72(66-19-7-1-8-20-66)54-83(91)84-55-73(36-44-92(84)107)67-21-9-2-10-22-67;1-5-15-39(16-6-1)55(40-17-7-2-8-18-40)43-26-29-49-47(35-43)48-36-44(56(41-19-9-3-10-20-41)42-21-11-4-12-22-42)27-30-50(48)57(49)53-34-38(31-32-54-53)37-25-28-46-45-23-13-14-24-51(45)58-52(46)33-37/h1-57H;1-36H.
What are the key properties of 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 2117.51 g/mol, XLogP of 39.31, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-yl-2-pyridinyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[5-(3,6-dicyanocarbazol-9-yl)-2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-3-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 158110056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).