3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole

C98H68N4 — CID 157292241

IUPAC3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/2C49H34N2/c1-33-28-38(34-12-4-2-5-13-34)30-39(29-33)35-20-24-41(25-21-35)51-47-19-11-9-17-43(47)45-32-37(23-27-49(45)51)36-22-26-48-44(31-36)42-16-8-10-18-46(42)50(48)40-14-6-3-7-15-40;1-33-19-26-47-43(29-33)45-32-39(23-28-49(45)50(47)40-15-6-3-7-16-40)38-22-27-48-44(31-38)42-17-8-9-18-46(42)51(48)41-24-20-35(21-25-41)37-14-10-13-36(30-37)34-11-4-2-5-12-34/h2*2-32H,1H3
InChIKeyBAYBUHPADQNCDL-UHFFFAOYSA-N
MW1301.65 g/mol
LogP26.38
Rot. Bonds10

About 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole

3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 157292241) has the molecular formula C98H68N4 and a molecular weight of 1301.65 g/mol. Its IUPAC name is 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
PubChem CID157292241
Molecular FormulaC98H68N4
Molecular Weight1301.65 g/mol
Exact Mass1300.54
IUPAC Name3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/2C49H34N2/c1-33-28-38(34-12-4-2-5-13-34)30-39(29-33)35-20-24-41(25-21-35)51-47-19-11-9-17-43(47)45-32-37(23-27-49(45)51)36-22-26-48-44(31-36)42-16-8-10-18-46(42)50(48)40-14-6-3-7-15-40;1-33-19-26-47-43(29-33)45-32-39(23-28-49(45)50(47)40-15-6-3-7-16-40)38-22-27-48-44(31-38)42-17-8-9-18-46(42)51(48)41-24-20-35(21-25-41)37-14-10-13-36(30-37)34-11-4-2-5-12-34/h2*2-32H,1H3
InChIKeyBAYBUHPADQNCDL-UHFFFAOYSA-N
XLogP26.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.65
LogP ≤ 526.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole (CID 157292241) is 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole is Cc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is BAYBUHPADQNCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H34N2/c1-33-28-38(34-12-4-2-5-13-34)30-39(29-33)35-20-24-41(25-21-35)51-47-19-11-9-17-43(47)45-32-37(23-27-49(45)51)36-22-26-48-44(31-36)42-16-8-10-18-46(42)50(48)40-14-6-3-7-15-40;1-33-19-26-47-43(29-33)45-32-39(23-28-49(45)50(47)40-15-6-3-7-16-40)38-22-27-48-44(31-38)42-17-8-9-18-46(42)51(48)41-24-20-35(21-25-41)37-14-10-13-36(30-37)34-11-4-2-5-12-34/h2*2-32H,1H3.
What are the key properties of 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1301.65 g/mol, XLogP of 26.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 157292241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).