9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole

C41H28N4 — CID 166916359

IUPAC9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cc4ccccc4c4ccccc34)N=C(c3ccccc3-n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C41H28N4/c1-2-14-27(15-3-1)39-42-40(44-41(43-39)35-26-28-16-4-5-17-29(28)30-18-6-7-19-31(30)35)34-22-10-13-25-38(34)45-36-23-11-8-20-32(36)33-21-9-12-24-37(33)45/h1-26,41H,(H,42,43,44)
InChIKeyWGSOTJIDVSTNRR-UHFFFAOYSA-N
MW576.70 g/mol
LogP9.59
Rot. Bonds4

About 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole

9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 166916359) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID166916359
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cc4ccccc4c4ccccc34)N=C(c3ccccc3-n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C41H28N4/c1-2-14-27(15-3-1)39-42-40(44-41(43-39)35-26-28-16-4-5-17-29(28)30-18-6-7-19-31(30)35)34-22-10-13-25-38(34)45-36-23-11-8-20-32(36)33-21-9-12-24-37(33)45/h1-26,41H,(H,42,43,44)
InChIKeyWGSOTJIDVSTNRR-UHFFFAOYSA-N
XLogP9.59
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
3,6-diphenyl-9-[2-(2-phenyl-6-triphenylen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 170067682
2,6-diphenyl-4-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 135247456
5-[6-[2,6-bis(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]naphtho[2,1-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 163448900
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
5-[4-[2,6-bis(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzothiophen-4-ylphenyl]benzo[b]carbazole
CID 155475191
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
9-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
CID 126633118

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole (CID 166916359) is 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(C2=NC(c3cc4ccccc4c4ccccc34)N=C(c3ccccc3-n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is WGSOTJIDVSTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-2-14-27(15-3-1)39-42-40(44-41(43-39)35-26-28-16-4-5-17-29(28)30-18-6-7-19-31(30)35)34-22-10-13-25-38(34)45-36-23-11-8-20-32(36)33-21-9-12-24-37(33)45/h1-26,41H,(H,42,43,44).
What are the key properties of 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 576.70 g/mol, XLogP of 9.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 166916359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).