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

C48H30N2 — CID 118315743

IUPAC1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c23)cc1
InChIInChI=1S/C48H30N2/c1-3-11-31(12-4-1)43-30-49(36-16-5-2-6-17-36)47-42(43)28-27-41-39-19-7-8-20-44(39)50(48(41)47)37-18-10-15-35(29-37)38-25-23-34-22-21-32-13-9-14-33-24-26-40(38)46(34)45(32)33/h1-30H
InChIKeyUXBXYZWLIAPJJD-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.96
Rot. Bonds4

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

1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole (PubChem CID 118315743) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
PubChem CID118315743
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c23)cc1
InChIInChI=1S/C48H30N2/c1-3-11-31(12-4-1)43-30-49(36-16-5-2-6-17-36)47-42(43)28-27-41-39-19-7-8-20-44(39)50(48(41)47)37-18-10-15-35(29-37)38-25-23-34-22-21-32-13-9-14-33-24-26-40(38)46(34)45(32)33/h1-30H
InChIKeyUXBXYZWLIAPJJD-UHFFFAOYSA-N
XLogP12.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.96
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

9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315801
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole
CID 118316180
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
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561
12-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780567
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
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole
CID 118317502

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole (CID 118315743) is 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole is c1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c23)cc1.
What is the InChIKey of 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole?
The InChIKey is UXBXYZWLIAPJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-11-31(12-4-1)43-30-49(36-16-5-2-6-17-36)47-42(43)28-27-41-39-19-7-8-20-44(39)50(48(41)47)37-18-10-15-35(29-37)38-25-23-34-22-21-32-13-9-14-33-24-26-40(38)46(34)45(32)33/h1-30H.
What are the key properties of 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole?
1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole has a molecular weight of 634.78 g/mol, XLogP of 12.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).