9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole

C43H31N3 — CID 163450266

IUPAC9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1C(n2c3ccccc3c3ccccc32)=CC(n2c3ccccc3c3ccccc32)=CC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H31N3/c1-28-42(45-38-22-10-4-16-32(38)33-17-5-11-23-39(33)45)26-29(44-36-20-8-2-14-30(36)31-15-3-9-21-37(31)44)27-43(28)46-40-24-12-6-18-34(40)35-19-7-13-25-41(35)46/h2-28,42H,1H3
InChIKeyBFZSWCOUMRVWIF-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.28
Rot. Bonds3

About 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole

9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 163450266) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole
PubChem CID163450266
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole
SMILESCC1C(n2c3ccccc3c3ccccc32)=CC(n2c3ccccc3c3ccccc32)=CC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H31N3/c1-28-42(45-38-22-10-4-16-32(38)33-17-5-11-23-39(33)45)26-29(44-36-20-8-2-14-30(36)31-15-3-9-21-37(31)44)27-43(28)46-40-24-12-6-18-34(40)35-19-7-13-25-41(35)46/h2-28,42H,1H3
InChIKeyBFZSWCOUMRVWIF-UHFFFAOYSA-N
XLogP11.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 143793752
9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775
9-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 90845040
9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole
CID 4919768
9-(2,5-dimethylcyclohexyl)carbazole
CID 118351552
9-cyclobutylcarbazole
CID 66713557
9-cyclononylcarbazole
CID 139570160
3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole
CID 163878693
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
9-(13-carbazol-9-yl-6,7,8,9,17,18,19,20-octamethyl-4,11,15,22-tetrathiapentacyclo[12.8.0.03,12.05,10.016,21]docosan-2-yl)carbazole
CID 164998903
4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine
CID 71038421

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole (CID 163450266) is 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole is CC1C(n2c3ccccc3c3ccccc32)=CC(n2c3ccccc3c3ccccc32)=CC1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is BFZSWCOUMRVWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-28-42(45-38-22-10-4-16-32(38)33-17-5-11-23-39(33)45)26-29(44-36-20-8-2-14-30(36)31-15-3-9-21-37(31)44)27-43(28)46-40-24-12-6-18-34(40)35-19-7-13-25-41(35)46/h2-28,42H,1H3.
What are the key properties of 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole?
9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 589.74 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 163450266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).