1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole

C48H31N — CID 163727096

IUPAC1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cccc4c3[nH]c3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C48H31N/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30,49H
InChIKeyKWNMUGQZMUBSEI-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.45
Rot. Bonds4

About 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole

1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole (PubChem CID 163727096) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole.

Molecular Properties

Compound Name1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
PubChem CID163727096
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cccc4c3[nH]c3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C48H31N/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30,49H
InChIKeyKWNMUGQZMUBSEI-UHFFFAOYSA-N
XLogP13.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.45
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-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene
CID 160949121
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
25-(2-phenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1,3,5,7(17),8,10,12(34),13,15,18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 123683020
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole?
The IUPAC name of 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole (CID 163727096) is 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole.
What is the SMILES notation for 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole?
The canonical SMILES for 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole is c1ccc(-c2ccc(-c3ccccc3-c3cccc4c3[nH]c3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1.
What is the InChIKey of 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole?
The InChIKey is KWNMUGQZMUBSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-14-4-5-15-37(35)43-21-11-23-45-44-22-10-20-36(47(44)49-48(43)45)34-28-29-42-40-18-7-6-16-38(40)39-17-8-9-19-41(39)46(42)30-34/h1-30,49H.
What are the key properties of 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole?
1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole has a molecular weight of 621.78 g/mol, XLogP of 13.45, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole is sourced from PubChem (CID 163727096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).