1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole

C35H22N2 — CID 175594588

IUPAC1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
SMILESc1cnc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C35H22N2/c1-2-11-24-22(10-1)23-12-3-4-14-26(23)33-27(24)15-7-18-31(33)34-29(19-9-21-36-34)30-17-8-16-28-25-13-5-6-20-32(25)37-35(28)30/h1-21,37H
InChIKeyIOQLAQWYZPXXQD-UHFFFAOYSA-N
MW470.58 g/mol
LogP9.51
Rot. Bonds2

About 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole

1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole (PubChem CID 175594588) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole.

Molecular Properties

Compound Name1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
PubChem CID175594588
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
SMILESc1cnc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C35H22N2/c1-2-11-24-22(10-1)23-12-3-4-14-26(23)33-27(24)15-7-18-31(33)34-29(19-9-21-36-34)30-17-8-16-28-25-13-5-6-20-32(25)37-35(28)30/h1-21,37H
InChIKeyIOQLAQWYZPXXQD-UHFFFAOYSA-N
XLogP9.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole
CID 166133692
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
CID 141226515
4-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319061
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
CID 118037607

Frequently Asked Questions

What is the IUPAC name of 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole?
The IUPAC name of 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole (CID 175594588) is 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole.
What is the SMILES notation for 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole?
The canonical SMILES for 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole is c1cnc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole?
The InChIKey is IOQLAQWYZPXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2/c1-2-11-24-22(10-1)23-12-3-4-14-26(23)33-27(24)15-7-18-31(33)34-29(19-9-21-36-34)30-17-8-16-28-25-13-5-6-20-32(25)37-35(28)30/h1-21,37H.
What are the key properties of 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole?
1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole has a molecular weight of 470.58 g/mol, XLogP of 9.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole is sourced from PubChem (CID 175594588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).