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

C61H42N4 — CID 155771460

IUPAC3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
SMILESCc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C)cn2)cc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C61H42N4/c1-39-29-30-43(55-37-53(40(2)38-62-55)42-16-14-17-44(34-42)63-56-24-8-3-19-47(56)48-20-4-9-25-57(48)63)35-52(39)41-15-13-18-45(33-41)64-60-28-12-7-23-51(60)54-36-46(31-32-61(54)64)65-58-26-10-5-21-49(58)50-22-6-11-27-59(50)65/h3-38H,1-2H3
InChIKeySYGMQRLOXLOCIC-UHFFFAOYSA-N
MW831.04 g/mol
LogP15.99
Rot. Bonds6

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

3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole (PubChem CID 155771460) has the molecular formula C61H42N4 and a molecular weight of 831.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
PubChem CID155771460
Molecular FormulaC61H42N4
Molecular Weight831.04 g/mol
Exact Mass830.34
IUPAC Name3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
SMILESCc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C)cn2)cc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C61H42N4/c1-39-29-30-43(55-37-53(40(2)38-62-55)42-16-14-17-44(34-42)63-56-24-8-3-19-47(56)48-20-4-9-25-57(48)63)35-52(39)41-15-13-18-45(33-41)64-60-28-12-7-23-51(60)54-36-46(31-32-61(54)64)65-58-26-10-5-21-49(58)50-22-6-11-27-59(50)65/h3-38H,1-2H3
InChIKeySYGMQRLOXLOCIC-UHFFFAOYSA-N
XLogP15.99
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole (CID 155771460) is 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole is Cc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C)cn2)cc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The InChIKey is SYGMQRLOXLOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4/c1-39-29-30-43(55-37-53(40(2)38-62-55)42-16-14-17-44(34-42)63-56-24-8-3-19-47(56)48-20-4-9-25-57(48)63)35-52(39)41-15-13-18-45(33-41)64-60-28-12-7-23-51(60)54-36-46(31-32-61(54)64)65-58-26-10-5-21-49(58)50-22-6-11-27-59(50)65/h3-38H,1-2H3.
What are the key properties of 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole has a molecular weight of 831.04 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[5-[4-(3-carbazol-9-ylphenyl)-5-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole is sourced from PubChem (CID 155771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).