2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole

C35H30N2 — CID 122492369

IUPAC2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole
SMILESCc1cc(-c2ccc3c(c2)[nH]c2c(C)cc(C)cc23)cc(-c2ccc3c4cc(C)ccc4n(C)c3c2)c1
InChIInChI=1S/C35H30N2/c1-20-6-11-33-30(15-20)29-10-8-25(19-34(29)37(33)5)27-14-22(3)13-26(17-27)24-7-9-28-31-16-21(2)12-23(4)35(31)36-32(28)18-24/h6-19,36H,1-5H3
InChIKeyPMWARCDMMKROFD-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.53
Rot. Bonds2

About 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole

2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole (PubChem CID 122492369) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole.

Molecular Properties

Compound Name2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole
PubChem CID122492369
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC Name2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole
SMILESCc1cc(-c2ccc3c(c2)[nH]c2c(C)cc(C)cc23)cc(-c2ccc3c4cc(C)ccc4n(C)c3c2)c1
InChIInChI=1S/C35H30N2/c1-20-6-11-33-30(15-20)29-10-8-25(19-34(29)37(33)5)27-14-22(3)13-26(17-27)24-7-9-28-31-16-21(2)12-23(4)35(31)36-32(28)18-24/h6-19,36H,1-5H3
InChIKeyPMWARCDMMKROFD-UHFFFAOYSA-N
XLogP9.53
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole?
The IUPAC name of 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole (CID 122492369) is 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole.
What is the SMILES notation for 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole?
The canonical SMILES for 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole is Cc1cc(-c2ccc3c(c2)[nH]c2c(C)cc(C)cc23)cc(-c2ccc3c4cc(C)ccc4n(C)c3c2)c1.
What is the InChIKey of 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole?
The InChIKey is PMWARCDMMKROFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-20-6-11-33-30(15-20)29-10-8-25(19-34(29)37(33)5)27-14-22(3)13-26(17-27)24-7-9-28-31-16-21(2)12-23(4)35(31)36-32(28)18-24/h6-19,36H,1-5H3.
What are the key properties of 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole?
2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole has a molecular weight of 478.64 g/mol, XLogP of 9.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,8-dimethyl-9H-carbazol-2-yl)-5-methylphenyl]-6,9-dimethylcarbazole is sourced from PubChem (CID 122492369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).