9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

C50H38N2 — CID 144943124

IUPAC9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESCc1cccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc(C)c6)cc5)cc4C4C=CC=CC43)cc2)c1
InChIInChI=1S/C50H38N2/c1-33-9-7-11-37(29-33)35-17-23-41(24-18-35)51-47-15-5-3-13-43(47)45-31-39(21-27-49(45)51)40-22-28-50-46(32-40)44-14-4-6-16-48(44)52(50)42-25-19-36(20-26-42)38-12-8-10-34(2)30-38/h3-32,43,47H,1-2H3
InChIKeyMXVRNPHFUTXIBY-UHFFFAOYSA-N
MW666.87 g/mol
LogP13.13
Rot. Bonds5

About 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 144943124) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
PubChem CID144943124
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESCc1cccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc(C)c6)cc5)cc4C4C=CC=CC43)cc2)c1
InChIInChI=1S/C50H38N2/c1-33-9-7-11-37(29-33)35-17-23-41(24-18-35)51-47-15-5-3-13-43(47)45-31-39(21-27-49(45)51)40-22-28-50-46(32-40)44-14-4-6-16-48(44)52(50)42-25-19-36(20-26-42)38-12-8-10-34(2)30-38/h3-32,43,47H,1-2H3
InChIKeyMXVRNPHFUTXIBY-UHFFFAOYSA-N
XLogP13.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole
CID 89018420
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 144943124) is 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is Cc1cccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc(C)c6)cc5)cc4C4C=CC=CC43)cc2)c1.
What is the InChIKey of 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is MXVRNPHFUTXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-33-9-7-11-37(29-33)35-17-23-41(24-18-35)51-47-15-5-3-13-43(47)45-31-39(21-27-49(45)51)40-22-28-50-46(32-40)44-14-4-6-16-48(44)52(50)42-25-19-36(20-26-42)38-12-8-10-34(2)30-38/h3-32,43,47H,1-2H3.
What are the key properties of 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 666.87 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 144943124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).