10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole

C46H30N2 — CID 118315588

IUPAC10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6c7ccccc7cc7ccccc67)c5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-31(15-4-1)44-30-41-43(47(44)35-19-5-2-6-20-35)27-26-40-39-24-11-12-25-42(39)48(46(40)41)36-21-13-18-34(29-36)45-37-22-9-7-16-32(37)28-33-17-8-10-23-38(33)45/h1-30H
InChIKeyXWEDOMKJYIPMPB-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole

10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 118315588) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
PubChem CID118315588
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6c7ccccc7cc7ccccc67)c5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-31(15-4-1)44-30-41-43(47(44)35-19-5-2-6-20-35)27-26-40-39-24-11-12-25-42(39)48(46(40)41)36-21-13-18-34(29-36)45-37-22-9-7-16-32(37)28-33-17-8-10-23-38(33)45/h1-30H
InChIKeyXWEDOMKJYIPMPB-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
CID 161427621
2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 158419634
1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315652
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 159800613
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 159388535
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610

Frequently Asked Questions

What is the IUPAC name of 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole (CID 118315588) is 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole is c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5cccc(-c6c7ccccc7cc7ccccc67)c5)c43)n2-c2ccccc2)cc1.
What is the InChIKey of 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is XWEDOMKJYIPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-14-31(15-4-1)44-30-41-43(47(44)35-19-5-2-6-20-35)27-26-40-39-24-11-12-25-42(39)48(46(40)41)36-21-13-18-34(29-36)45-37-22-9-7-16-32(37)28-33-17-8-10-23-38(33)45/h1-30H.
What are the key properties of 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole?
10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118315588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).