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

C37H28N2 — CID 166670351

IUPAC3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESCC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)C=CC=CC1
InChIInChI=1S/C37H28N2/c1-37(21-7-2-8-22-37)27-15-17-28(18-16-27)39-35-12-6-4-10-30(35)32-24-26(14-20-36(32)39)25-13-19-34-31(23-25)29-9-3-5-11-33(29)38-34/h2-21,23-24,38H,22H2,1H3
InChIKeyWLDZTDXEKLQVHF-UHFFFAOYSA-N
MW500.65 g/mol
LogP9.86
Rot. Bonds3

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

3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (PubChem CID 166670351) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
PubChem CID166670351
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESCC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)C=CC=CC1
InChIInChI=1S/C37H28N2/c1-37(21-7-2-8-22-37)27-15-17-28(18-16-27)39-35-12-6-4-10-30(35)32-24-26(14-20-36(32)39)25-13-19-34-31(23-25)29-9-3-5-11-33(29)38-34/h2-21,23-24,38H,22H2,1H3
InChIKeyWLDZTDXEKLQVHF-UHFFFAOYSA-N
XLogP9.86
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163618215
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(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
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3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
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3-(9H-carbazol-3-yl)-9-[3-(2-methylpropyl)phenyl]carbazole
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(Z)-3-[3-fluoro-5-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-[[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]methyl]prop-1-ene-1,3-diamine
CID 90069523
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
9-(9H-carbazol-2-yl)-2-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (CID 166670351) is 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is CC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)C=CC=CC1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The InChIKey is WLDZTDXEKLQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-37(21-7-2-8-22-37)27-15-17-28(18-16-27)39-35-12-6-4-10-30(35)32-24-26(14-20-36(32)39)25-13-19-34-31(23-25)29-9-3-5-11-33(29)38-34/h2-21,23-24,38H,22H2,1H3.
What are the key properties of 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole has a molecular weight of 500.65 g/mol, XLogP of 9.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 166670351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).