3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

C49H36N2 — CID 90261695

IUPAC3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1C=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)=CC1
InChIInChI=1S/C49H36N2/c1-33-16-27-47-43(30-33)45-32-39(22-29-49(45)51(47)41-25-19-37(20-26-41)35-12-6-3-7-13-35)38-21-28-48-44(31-38)42-14-8-9-15-46(42)50(48)40-23-17-36(18-24-40)34-10-4-2-5-11-34/h2-15,17-33H,16H2,1H3
InChIKeyDRPCAFWNKYEEJO-UHFFFAOYSA-N
MW652.84 g/mol
LogP11.33
Rot. Bonds5

About 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 90261695) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID90261695
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1C=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)=CC1
InChIInChI=1S/C49H36N2/c1-33-16-27-47-43(30-33)45-32-39(22-29-49(45)51(47)41-25-19-37(20-26-41)35-12-6-3-7-13-35)38-21-28-48-44(31-38)42-14-8-9-15-46(42)50(48)40-23-17-36(18-24-40)34-10-4-2-5-11-34/h2-15,17-33H,16H2,1H3
InChIKeyDRPCAFWNKYEEJO-UHFFFAOYSA-N
XLogP11.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 90261695) is 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC1C=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc23)=CC1.
What is the InChIKey of 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is DRPCAFWNKYEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-33-16-27-47-43(30-33)45-32-39(22-29-49(45)51(47)41-25-19-37(20-26-41)35-12-6-3-7-13-35)38-21-28-48-44(31-38)42-14-8-9-15-46(42)50(48)40-23-17-36(18-24-40)34-10-4-2-5-11-34/h2-15,17-33H,16H2,1H3.
What are the key properties of 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 652.84 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 90261695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).