1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole

C43H32N2 — CID 146181878

IUPAC1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole
SMILESCc1cccc(-n2c3c(c4ccccc42)C=CCC3c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C43H32N2/c1-29-14-11-17-31(28-29)45-41-27-10-8-21-35(41)39-25-13-23-37(43(39)45)33-19-6-5-18-32(33)36-22-12-24-38-34-20-7-9-26-40(34)44(42(36)38)30-15-3-2-4-16-30/h2-22,24-28,37H,23H2,1H3
InChIKeyOJUIUTQICKHKLN-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.25
Rot. Bonds4

About 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole

1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole (PubChem CID 146181878) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole
PubChem CID146181878
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole
SMILESCc1cccc(-n2c3c(c4ccccc42)C=CCC3c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C43H32N2/c1-29-14-11-17-31(28-29)45-41-27-10-8-21-35(41)39-25-13-23-37(43(39)45)33-19-6-5-18-32(33)36-22-12-24-38-34-20-7-9-26-40(34)44(42(36)38)30-15-3-2-4-16-30/h2-22,24-28,37H,23H2,1H3
InChIKeyOJUIUTQICKHKLN-UHFFFAOYSA-N
XLogP11.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole (CID 146181878) is 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole is Cc1cccc(-n2c3c(c4ccccc42)C=CCC3c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole?
The InChIKey is OJUIUTQICKHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-29-14-11-17-31(28-29)45-41-27-10-8-21-35(41)39-25-13-23-37(43(39)45)33-19-6-5-18-32(33)36-22-12-24-38-34-20-7-9-26-40(34)44(42(36)38)30-15-3-2-4-16-30/h2-22,24-28,37H,23H2,1H3.
What are the key properties of 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole?
1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole has a molecular weight of 576.74 g/mol, XLogP of 11.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146181878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).