3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole

C42H26N2 — CID 118314953

IUPAC3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c23)cc1
InChIInChI=1S/C42H26N2/c1-2-9-31(10-3-1)43-26-25-37-38(43)24-23-36-34-11-4-5-12-39(34)44(42(36)37)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-35(33)41(30)40(28)29/h1-26H
InChIKeyUOFQBKGBWSFUAH-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.29
Rot. Bonds3

About 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole

3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 118314953) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID118314953
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c23)cc1
InChIInChI=1S/C42H26N2/c1-2-9-31(10-3-1)43-26-25-37-38(43)24-23-36-34-11-4-5-12-39(34)44(42(36)37)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-35(33)41(30)40(28)29/h1-26H
InChIKeyUOFQBKGBWSFUAH-UHFFFAOYSA-N
XLogP11.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.29
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

6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
CID 161247563
6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223369
3-phenyl-10-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90371613
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 144815944
1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315743
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118316102
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole (CID 118314953) is 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c23)cc1.
What is the InChIKey of 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is UOFQBKGBWSFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-2-9-31(10-3-1)43-26-25-37-38(43)24-23-36-34-11-4-5-12-39(34)44(42(36)37)32-19-15-27(16-20-32)33-21-17-30-14-13-28-7-6-8-29-18-22-35(33)41(30)40(28)29/h1-26H.
What are the key properties of 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole?
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 558.68 g/mol, XLogP of 11.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118314953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).