9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole

C48H34N4 — CID 123723589

IUPAC9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cncc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)c1
InChIInChI=1S/C48H34N4/c1-31-19-20-38(52-47-17-9-5-13-42(47)43-14-6-10-18-48(43)52)26-44(31)36-25-34(28-50-30-36)33-24-35(29-49-27-33)39-22-21-37(23-32(39)2)51-45-15-7-3-11-40(45)41-12-4-8-16-46(41)51/h3-30H,1-2H3
InChIKeyRELNAIJWRPBEJR-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.29
Rot. Bonds5

About 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole

9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole (PubChem CID 123723589) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole
PubChem CID123723589
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cncc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)c1
InChIInChI=1S/C48H34N4/c1-31-19-20-38(52-47-17-9-5-13-42(47)43-14-6-10-18-48(43)52)26-44(31)36-25-34(28-50-30-36)33-24-35(29-49-27-33)39-22-21-37(23-32(39)2)51-45-15-7-3-11-40(45)41-12-4-8-16-46(41)51/h3-30H,1-2H3
InChIKeyRELNAIJWRPBEJR-UHFFFAOYSA-N
XLogP12.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]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

9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
CID 123834159
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[4-(5-methyl-3-pyridinyl)phenyl]carbazole
CID 58151158
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
CID 59372061
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3-methylphenyl]-3-carbazol-9-ylcarbazole
CID 126730446
9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249694

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole?
The IUPAC name of 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole (CID 123723589) is 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole.
What is the SMILES notation for 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole?
The canonical SMILES for 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cncc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)c1.
What is the InChIKey of 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole?
The InChIKey is RELNAIJWRPBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-31-19-20-38(52-47-17-9-5-13-42(47)43-14-6-10-18-48(43)52)26-44(31)36-25-34(28-50-30-36)33-24-35(29-49-27-33)39-22-21-37(23-32(39)2)51-45-15-7-3-11-40(45)41-12-4-8-16-46(41)51/h3-30H,1-2H3.
What are the key properties of 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole?
9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole has a molecular weight of 666.83 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole is sourced from PubChem (CID 123723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).