1-(3-triphenylen-2-ylphenyl)-9H-carbazole

C36H23N — CID 129197617

IUPAC1-(3-triphenylen-2-ylphenyl)-9H-carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C36H23N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-22,37H
InChIKeyIJSJWCHQWGYMNF-UHFFFAOYSA-N
MW469.59 g/mol
LogP10.11
Rot. Bonds2

About 1-(3-triphenylen-2-ylphenyl)-9H-carbazole

1-(3-triphenylen-2-ylphenyl)-9H-carbazole (PubChem CID 129197617) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-(3-triphenylen-2-ylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-(3-triphenylen-2-ylphenyl)-9H-carbazole
PubChem CID129197617
Molecular FormulaC36H23N
Molecular Weight469.59 g/mol
Exact Mass469.18
IUPAC Name1-(3-triphenylen-2-ylphenyl)-9H-carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C36H23N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-22,37H
InChIKeyIJSJWCHQWGYMNF-UHFFFAOYSA-N
XLogP10.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
CID 129197677
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
3-(9H-carbazol-1-yl)aniline
CID 67501137
1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
CID 163727096
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
5-[8-(3-triphenylen-2-ylphenyl)-9H-carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 158018662
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531

Frequently Asked Questions

What is the IUPAC name of 1-(3-triphenylen-2-ylphenyl)-9H-carbazole?
The IUPAC name of 1-(3-triphenylen-2-ylphenyl)-9H-carbazole (CID 129197617) is 1-(3-triphenylen-2-ylphenyl)-9H-carbazole.
What is the SMILES notation for 1-(3-triphenylen-2-ylphenyl)-9H-carbazole?
The canonical SMILES for 1-(3-triphenylen-2-ylphenyl)-9H-carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-(3-triphenylen-2-ylphenyl)-9H-carbazole?
The InChIKey is IJSJWCHQWGYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-22,37H.
What are the key properties of 1-(3-triphenylen-2-ylphenyl)-9H-carbazole?
1-(3-triphenylen-2-ylphenyl)-9H-carbazole has a molecular weight of 469.59 g/mol, XLogP of 10.11, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-triphenylen-2-ylphenyl)-9H-carbazole is sourced from PubChem (CID 129197617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).