4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline

C66H42N2O — CID 168781618

IUPAC4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C66H42N2O/c1-2-14-50(15-3-1)68-63-42-48(29-37-58(63)60-38-28-45-12-4-7-17-55(45)66(60)68)44-24-33-52(34-25-44)67(51-31-22-43(23-32-51)47-30-39-65-62(40-47)59-20-10-11-21-64(59)69-65)53-35-26-46(27-36-53)61-41-49-13-5-6-16-54(49)56-18-8-9-19-57(56)61/h1-42H
InChIKeyZBACMPAMDGQIFG-UHFFFAOYSA-N
MW879.08 g/mol
LogP18.61
Rot. Bonds7

About 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline

4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline (PubChem CID 168781618) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
PubChem CID168781618
Molecular FormulaC66H42N2O
Molecular Weight879.08 g/mol
Exact Mass878.33
IUPAC Name4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C66H42N2O/c1-2-14-50(15-3-1)68-63-42-48(29-37-58(63)60-38-28-45-12-4-7-17-55(45)66(60)68)44-24-33-52(34-25-44)67(51-31-22-43(23-32-51)47-30-39-65-62(40-47)59-20-10-11-21-64(59)69-65)53-35-26-46(27-36-53)61-41-49-13-5-6-16-54(49)56-18-8-9-19-57(56)61/h1-42H
InChIKeyZBACMPAMDGQIFG-UHFFFAOYSA-N
XLogP18.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline?
The IUPAC name of 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline (CID 168781618) is 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline.
What is the SMILES notation for 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline?
The canonical SMILES for 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline is c1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline?
The InChIKey is ZBACMPAMDGQIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-2-14-50(15-3-1)68-63-42-48(29-37-58(63)60-38-28-45-12-4-7-17-55(45)66(60)68)44-24-33-52(34-25-44)67(51-31-22-43(23-32-51)47-30-39-65-62(40-47)59-20-10-11-21-64(59)69-65)53-35-26-46(27-36-53)61-41-49-13-5-6-16-54(49)56-18-8-9-19-57(56)61/h1-42H.
What are the key properties of 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline?
4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline has a molecular weight of 879.08 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline is sourced from PubChem (CID 168781618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).