3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole

C40H29N — CID 70995676

IUPAC3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
SMILESC1=CCC(c2cc3ccccc3cc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C40H29N/c1-4-12-28(13-5-1)32-20-22-39-37(26-32)38-27-33(21-23-40(38)41(39)34-18-8-3-9-19-34)36-25-31-17-11-10-16-30(31)24-35(36)29-14-6-2-7-15-29/h1-14,16-27,29H,15H2
InChIKeyRFQUSBIEXAYQBF-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.87
Rot. Bonds4

About 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole

3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole (PubChem CID 70995676) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
PubChem CID70995676
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
SMILESC1=CCC(c2cc3ccccc3cc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C40H29N/c1-4-12-28(13-5-1)32-20-22-39-37(26-32)38-27-33(21-23-40(38)41(39)34-18-8-3-9-19-34)36-25-31-17-11-10-16-30(31)24-35(36)29-14-6-2-7-15-29/h1-14,16-27,29H,15H2
InChIKeyRFQUSBIEXAYQBF-UHFFFAOYSA-N
XLogP10.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
9-[4-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 155205585
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole?
The IUPAC name of 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole (CID 70995676) is 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole.
What is the SMILES notation for 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole?
The canonical SMILES for 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole is C1=CCC(c2cc3ccccc3cc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)C=C1.
What is the InChIKey of 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole?
The InChIKey is RFQUSBIEXAYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-4-12-28(13-5-1)32-20-22-39-37(26-32)38-27-33(21-23-40(38)41(39)34-18-8-3-9-19-34)36-25-31-17-11-10-16-30(31)24-35(36)29-14-6-2-7-15-29/h1-14,16-27,29H,15H2.
What are the key properties of 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole?
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole has a molecular weight of 523.68 g/mol, XLogP of 10.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 70995676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).