9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole

C48H30N2O — CID 175804687

IUPAC9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
SMILESC1=CC(c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c23)N=C1
InChIInChI=1S/C48H30N2O/c1-2-13-31(14-3-1)50-42-24-9-8-15-32(42)40-29-30(26-27-43(40)50)45-33-16-4-6-18-35(33)46(36-19-7-5-17-34(36)45)38-21-11-25-44-47(38)39-22-10-20-37(48(39)51-44)41-23-12-28-49-41/h1-29,41H
InChIKeyXWHXJKZNKDLEQM-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.01
Rot. Bonds4

About 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole

9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole (PubChem CID 175804687) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
PubChem CID175804687
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
SMILESC1=CC(c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c23)N=C1
InChIInChI=1S/C48H30N2O/c1-2-13-31(14-3-1)50-42-24-9-8-15-32(42)40-29-30(26-27-43(40)50)45-33-16-4-6-18-35(33)46(36-19-7-5-17-34(36)45)38-21-11-25-44-47(38)39-22-10-20-37(48(39)51-44)41-23-12-28-49-41/h1-29,41H
InChIKeyXWHXJKZNKDLEQM-UHFFFAOYSA-N
XLogP13.01
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745675
3-[10-([1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176746053
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
CID 176745637
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole
CID 154602054
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole (CID 175804687) is 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole is C1=CC(c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c23)N=C1.
What is the InChIKey of 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole?
The InChIKey is XWHXJKZNKDLEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-13-31(14-3-1)50-42-24-9-8-15-32(42)40-29-30(26-27-43(40)50)45-33-16-4-6-18-35(33)46(36-19-7-5-17-34(36)45)38-21-11-25-44-47(38)39-22-10-20-37(48(39)51-44)41-23-12-28-49-41/h1-29,41H.
What are the key properties of 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole?
9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-[6-(2H-pyrrol-2-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 175804687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).