9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile

C74H41N9 — CID 126734596

IUPAC9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccc(C#N)cc9c9cc(C#N)ccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc(C#N)c3)n2)c1
InChIInChI=1S/C74H41N9/c75-42-46-7-5-9-55(35-46)67-41-66(79-74(80-67)56-10-6-8-47(36-56)43-76)54-23-21-52(22-24-54)50-17-19-51(20-18-50)53-25-27-57(28-26-53)81-72-33-29-58(82-68-13-3-1-11-60(68)61-12-2-4-14-69(61)82)39-64(72)65-40-59(30-34-73(65)81)83-70-31-15-48(44-77)37-62(70)63-38-49(45-78)16-32-71(63)83/h1-41H
InChIKeyFQDLTGHJIOYPHV-UHFFFAOYSA-N
MW1056.20 g/mol
LogP17.59
Rot. Bonds8

About 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile

9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile (PubChem CID 126734596) has the molecular formula C74H41N9 and a molecular weight of 1056.20 g/mol. Its IUPAC name is 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
PubChem CID126734596
Molecular FormulaC74H41N9
Molecular Weight1056.20 g/mol
Exact Mass1055.35
IUPAC Name9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccc(C#N)cc9c9cc(C#N)ccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc(C#N)c3)n2)c1
InChIInChI=1S/C74H41N9/c75-42-46-7-5-9-55(35-46)67-41-66(79-74(80-67)56-10-6-8-47(36-56)43-76)54-23-21-52(22-24-54)50-17-19-51(20-18-50)53-25-27-57(28-26-53)81-72-33-29-58(82-68-13-3-1-11-60(68)61-12-2-4-14-69(61)82)39-64(72)65-40-59(30-34-73(65)81)83-70-31-15-48(44-77)37-62(70)63-38-49(45-78)16-32-71(63)83/h1-41H
InChIKeyFQDLTGHJIOYPHV-UHFFFAOYSA-N
XLogP17.59
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.20
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]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

9-[6-carbazol-9-yl-9-[4-[4-[2-(3-cyanophenyl)-6-(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734604
5-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-2-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126734715
2-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 126734981
2-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126734714
2-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 126734883
2-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 126734406
4-[6-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126730531
5-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126735057
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
2-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 126734991
9-[6-carbazol-9-yl-9-[4-[4-[2-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734537
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile (CID 126734596) is 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile is N#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccc(C#N)cc9c9cc(C#N)ccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc(C#N)c3)n2)c1.
What is the InChIKey of 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is FQDLTGHJIOYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H41N9/c75-42-46-7-5-9-55(35-46)67-41-66(79-74(80-67)56-10-6-8-47(36-56)43-76)54-23-21-52(22-24-54)50-17-19-51(20-18-50)53-25-27-57(28-26-53)81-72-33-29-58(82-68-13-3-1-11-60(68)61-12-2-4-14-69(61)82)39-64(72)65-40-59(30-34-73(65)81)83-70-31-15-48(44-77)37-62(70)63-38-49(45-78)16-32-71(63)83/h1-41H.
What are the key properties of 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile?
9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 1056.20 g/mol, XLogP of 17.59, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 126734596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).