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

C44H28N2 — CID 118314949

IUPAC3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c23)cc1
InChIInChI=1S/C44H28N2/c1-2-12-31(13-3-1)45-26-25-40-42(45)24-23-39-38-19-8-9-20-43(38)46(44(39)40)32-14-10-11-29(27-32)30-21-22-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)41(37)28-30/h1-28H
InChIKeyBMQOPMLQPYWKPO-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

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

3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 118314949) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID118314949
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c23)cc1
InChIInChI=1S/C44H28N2/c1-2-12-31(13-3-1)45-26-25-40-42(45)24-23-39-38-19-8-9-20-43(38)46(44(39)40)32-14-10-11-29(27-32)30-21-22-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)41(37)28-30/h1-28H
InChIKeyBMQOPMLQPYWKPO-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
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-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile
CID 118260329
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 144815944
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole (CID 118314949) is 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c23)cc1.
What is the InChIKey of 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is BMQOPMLQPYWKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-12-31(13-3-1)45-26-25-40-42(45)24-23-39-38-19-8-9-20-43(38)46(44(39)40)32-14-10-11-29(27-32)30-21-22-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)41(37)28-30/h1-28H.
What are the key properties of 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole?
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118314949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).