9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole

C52H35N3S2 — CID 58960696

IUPAC9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)s4)ccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)s1
InChIInChI=1S/C52H35N3S2/c1-32-19-25-51(56-32)34-21-23-49-43(27-34)44-28-35(52-26-20-33(2)57-52)22-24-50(44)55(49)38-30-36(53-45-15-7-3-11-39(45)40-12-4-8-16-46(40)53)29-37(31-38)54-47-17-9-5-13-41(47)42-14-6-10-18-48(42)54/h3-31H,1-2H3
InChIKeyVNNAADBKQBSFPK-UHFFFAOYSA-N
MW766.01 g/mol
LogP15.05
Rot. Bonds5

About 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole

9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole (PubChem CID 58960696) has the molecular formula C52H35N3S2 and a molecular weight of 766.01 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
PubChem CID58960696
Molecular FormulaC52H35N3S2
Molecular Weight766.01 g/mol
Exact Mass765.23
IUPAC Name9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)s4)ccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)s1
InChIInChI=1S/C52H35N3S2/c1-32-19-25-51(56-32)34-21-23-49-43(27-34)44-28-35(52-26-20-33(2)57-52)22-24-50(44)55(49)38-30-36(53-45-15-7-3-11-39(45)40-12-4-8-16-46(40)53)29-37(31-38)54-47-17-9-5-13-41(47)42-14-6-10-18-48(42)54/h3-31H,1-2H3
InChIKeyVNNAADBKQBSFPK-UHFFFAOYSA-N
XLogP15.05
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.01
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole 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

3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 177093517
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281754
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
CID 134392036

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole (CID 58960696) is 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)s4)ccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)s1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole?
The InChIKey is VNNAADBKQBSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3S2/c1-32-19-25-51(56-32)34-21-23-49-43(27-34)44-28-35(52-26-20-33(2)57-52)22-24-50(44)55(49)38-30-36(53-45-15-7-3-11-39(45)40-12-4-8-16-46(40)53)29-37(31-38)54-47-17-9-5-13-41(47)42-14-6-10-18-48(42)54/h3-31H,1-2H3.
What are the key properties of 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole?
9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole has a molecular weight of 766.01 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole is sourced from PubChem (CID 58960696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).