3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole

C39H30N2 — CID 170060425

IUPAC3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C39H30N2/c1-25-16-19-37-31(22-25)30-12-6-9-15-36(30)40(37)34-13-7-4-10-28(34)29-11-5-8-14-35(29)41-38-20-17-26(2)23-32(38)33-24-27(3)18-21-39(33)41/h4-24H,1-3H3
InChIKeyGAPFANZRSUGTCK-UHFFFAOYSA-N
MW526.68 g/mol
LogP10.47
Rot. Bonds3

About 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole

3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 170060425) has the molecular formula C39H30N2 and a molecular weight of 526.68 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID170060425
Molecular FormulaC39H30N2
Molecular Weight526.68 g/mol
Exact Mass526.24
IUPAC Name3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C39H30N2/c1-25-16-19-37-31(22-25)30-12-6-9-15-36(30)40(37)34-13-7-4-10-28(34)29-11-5-8-14-35(29)41-38-20-17-26(2)23-32(38)33-24-27(3)18-21-39(33)41/h4-24H,1-3H3
InChIKeyGAPFANZRSUGTCK-UHFFFAOYSA-N
XLogP10.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 174139185
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
CID 158390729
9-[2-(6,16-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]-3-methylcarbazole
CID 174181982
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
3-methyl-9-oxidocarbazole
CID 166517305

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 170060425) is 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is GAPFANZRSUGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2/c1-25-16-19-37-31(22-25)30-12-6-9-15-36(30)40(37)34-13-7-4-10-28(34)29-11-5-8-14-35(29)41-38-20-17-26(2)23-32(38)33-24-27(3)18-21-39(33)41/h4-24H,1-3H3.
What are the key properties of 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 526.68 g/mol, XLogP of 10.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170060425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).