2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole

C43H33N — CID 155323593

IUPAC2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC(/C=C/c2ccc3c4cc(C5=CC=C(c6ccc(-c7ccccc7)cc6)CC5)ccc4n(-c4ccccc4)c3c2)=CC1
InChIInChI=1S/C43H33N/c1-3-11-33(12-4-1)34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-26-28-42-41(30-38)40-27-17-32(16-15-31-9-7-8-10-31)29-43(40)44(42)39-13-5-2-6-14-39/h1-7,9-22,24,26-30H,8,23,25H2/b16-15+
InChIKeyBQGUPOIASPARDX-FOCLMDBBSA-N
MW563.74 g/mol
LogP11.61
Rot. Bonds6

About 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole

2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 155323593) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID155323593
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC(/C=C/c2ccc3c4cc(C5=CC=C(c6ccc(-c7ccccc7)cc6)CC5)ccc4n(-c4ccccc4)c3c2)=CC1
InChIInChI=1S/C43H33N/c1-3-11-33(12-4-1)34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-26-28-42-41(30-38)40-27-17-32(16-15-31-9-7-8-10-31)29-43(40)44(42)39-13-5-2-6-14-39/h1-7,9-22,24,26-30H,8,23,25H2/b16-15+
InChIKeyBQGUPOIASPARDX-FOCLMDBBSA-N
XLogP11.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
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
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole (CID 155323593) is 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole is C1=CC(/C=C/c2ccc3c4cc(C5=CC=C(c6ccc(-c7ccccc7)cc6)CC5)ccc4n(-c4ccccc4)c3c2)=CC1.
What is the InChIKey of 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is BQGUPOIASPARDX-FOCLMDBBSA-N. The full InChI is InChI=1S/C43H33N/c1-3-11-33(12-4-1)34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-26-28-42-41(30-38)40-27-17-32(16-15-31-9-7-8-10-31)29-43(40)44(42)39-13-5-2-6-14-39/h1-7,9-22,24,26-30H,8,23,25H2/b16-15+.
What are the key properties of 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole?
2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 563.74 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 155323593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).