9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole

C36H23N — CID 129260500

IUPAC9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole
SMILESc1ccc2c3c(n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c2c#1)C=CCC3
InChIInChI=1S/C36H23N/c1-2-14-29-27(12-1)28-13-3-4-15-30(28)34-23-25(20-21-31(29)34)24-10-9-11-26(22-24)37-35-18-7-5-16-32(35)33-17-6-8-19-36(33)37/h1-5,8-16,19-23H,6,17H2
InChIKeyHEUDQWSVVYAOII-UHFFFAOYSA-N
MW469.59 g/mol
LogP9.32
Rot. Bonds2

About 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole

9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole (PubChem CID 129260500) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole
PubChem CID129260500
Molecular FormulaC36H23N
Molecular Weight469.59 g/mol
Exact Mass469.18
IUPAC Name9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole
SMILESc1ccc2c3c(n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c2c#1)C=CCC3
InChIInChI=1S/C36H23N/c1-2-14-29-27(12-1)28-13-3-4-15-30(28)34-23-25(20-21-31(29)34)24-10-9-11-26(22-24)37-35-18-7-5-16-32(35)33-17-6-8-19-36(33)37/h1-5,8-16,19-23H,6,17H2
InChIKeyHEUDQWSVVYAOII-UHFFFAOYSA-N
XLogP9.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 163750237
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
9-[3-[(1E,3E)-3-(3,4-dihydrocarbazol-9-yl)cycloocta-1,3-dien-6-yn-1-yl]phenyl]carbazole
CID 154947084

Frequently Asked Questions

What is the IUPAC name of 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole?
The IUPAC name of 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole (CID 129260500) is 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole.
What is the SMILES notation for 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole?
The canonical SMILES for 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole is c1ccc2c3c(n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c2c#1)C=CCC3.
What is the InChIKey of 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole?
The InChIKey is HEUDQWSVVYAOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-2-14-29-27(12-1)28-13-3-4-15-30(28)34-23-25(20-21-31(29)34)24-10-9-11-26(22-24)37-35-18-7-5-16-32(35)33-17-6-8-19-36(33)37/h1-5,8-16,19-23H,6,17H2.
What are the key properties of 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole?
9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole has a molecular weight of 469.59 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole is sourced from PubChem (CID 129260500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).