3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine

C114H74N12O — CID 158764496

IUPAC3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3cnc4ccccc4n3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C50H35N5.C38H22N4.C26H17N3O/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)42-29-31-49-44(33-42)45-34-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)30-32-50(45)55(49)41-27-25-36(26-28-41)48-35-51-46-23-13-14-24-47(46)52-48;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;1-2-8-21-20(7-1)27-17-22(28-21)18-13-15-19(16-14-18)29-23-9-3-5-11-25(23)30-26-12-6-4-10-24(26)29/h1-35H;2-23H;1-17H
InChIKeyIPBWCQUONJFVGB-UHFFFAOYSA-N
MW1627.93 g/mol
LogP30.18
Rot. Bonds13

About 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine

3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine (PubChem CID 158764496) has the molecular formula C114H74N12O and a molecular weight of 1627.93 g/mol. Its IUPAC name is 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
PubChem CID158764496
Molecular FormulaC114H74N12O
Molecular Weight1627.93 g/mol
Exact Mass1626.61
IUPAC Name3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3cnc4ccccc4n3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C50H35N5.C38H22N4.C26H17N3O/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)42-29-31-49-44(33-42)45-34-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)30-32-50(45)55(49)41-27-25-36(26-28-41)48-35-51-46-23-13-14-24-47(46)52-48;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;1-2-8-21-20(7-1)27-17-22(28-21)18-13-15-19(16-14-18)29-23-9-3-5-11-25(23)30-26-12-6-4-10-24(26)29/h1-35H;2-23H;1-17H
InChIKeyIPBWCQUONJFVGB-UHFFFAOYSA-N
XLogP30.18
TPSA113.45 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.93
LogP ≤ 530.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine 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

N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
4-(N-[9-[4-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 140779389
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725
5-[3-[N-[9-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 140810338
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-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile
CID 126734391
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
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
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
N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
CID 90182899
3-[6-[4-[3,6-bis(N-(4-cyanophenyl)anilino)carbazol-9-yl]phenyl]-2-(3-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126734443

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?
The IUPAC name of 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine (CID 158764496) is 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?
The canonical SMILES for 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine is [C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3cnc4ccccc4n3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?
The InChIKey is IPBWCQUONJFVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5.C38H22N4.C26H17N3O/c1-5-15-37(16-6-1)53(38-17-7-2-8-18-38)42-29-31-49-44(33-42)45-34-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)30-32-50(45)55(49)41-27-25-36(26-28-41)48-35-51-46-23-13-14-24-47(46)52-48;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;1-2-8-21-20(7-1)27-17-22(28-21)18-13-15-19(16-14-18)29-23-9-3-5-11-25(23)30-26-12-6-4-10-24(26)29/h1-35H;2-23H;1-17H.
What are the key properties of 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine?
3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine has a molecular weight of 1627.93 g/mol, XLogP of 30.18, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 158764496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).