1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole

C50H32N2 — CID 118315652

IUPAC1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C50H32N2/c1-3-14-33(15-4-1)48-32-36-27-29-45-44-24-11-12-25-47(44)52(50(45)49(36)51(48)37-17-5-2-6-18-37)38-19-13-16-34(30-38)35-26-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)46(43)31-35/h1-32H
InChIKeyXQLKUWLOHNCNSN-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole

1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole (PubChem CID 118315652) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
PubChem CID118315652
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C50H32N2/c1-3-14-33(15-4-1)48-32-36-27-29-45-44-24-11-12-25-47(44)52(50(45)49(36)51(48)37-17-5-2-6-18-37)38-19-13-16-34(30-38)35-26-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)46(43)31-35/h1-32H
InChIKeyXQLKUWLOHNCNSN-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
CID 118315677
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
1,2-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole;1,2-diphenyl-10-(4-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole;1,2-diphenyl-10-pyren-1-ylpyrrolo[2,3-a]carbazole;10-(3-phenanthren-9-ylphenyl)-1,2-diphenylpyrrolo[2,3-a]carbazole
CID 159678005
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
CID 168729461

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole (CID 118315652) is 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole is c1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3n2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The InChIKey is XQLKUWLOHNCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-14-33(15-4-1)48-32-36-27-29-45-44-24-11-12-25-47(44)52(50(45)49(36)51(48)37-17-5-2-6-18-37)38-19-13-16-34(30-38)35-26-28-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)46(43)31-35/h1-32H.
What are the key properties of 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole?
1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).