3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

C42H30N2 — CID 130217889

IUPAC3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)C1
InChIInChI=1S/C42H30N2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-16-11-17-33(27-32)43-41-23-9-6-20-37(41)38-28-34(24-25-42(38)43)44-39-21-7-4-18-35(39)36-19-5-8-22-40(36)44/h1-14,16-28,31H,15H2
InChIKeyBLFRMJPHPWDBEW-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.01
Rot. Bonds4

About 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (PubChem CID 130217889) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
PubChem CID130217889
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)C1
InChIInChI=1S/C42H30N2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-16-11-17-33(27-32)43-41-23-9-6-20-37(41)38-28-34(24-25-42(38)43)44-39-21-7-4-18-35(39)36-19-5-8-22-40(36)44/h1-14,16-28,31H,15H2
InChIKeyBLFRMJPHPWDBEW-UHFFFAOYSA-N
XLogP11.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 170375920
9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
CID 163741253
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 145327096
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
11-[3-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]benzo[a]carbazole
CID 166918794
9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
CID 67950911
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (CID 130217889) is 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is C1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)C1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The InChIKey is BLFRMJPHPWDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-16-11-17-33(27-32)43-41-23-9-6-20-37(41)38-28-34(24-25-42(38)43)44-39-21-7-4-18-35(39)36-19-5-8-22-40(36)44/h1-14,16-28,31H,15H2.
What are the key properties of 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole has a molecular weight of 562.72 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 130217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).