N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

C66H42N2O — CID 167277934

IUPACN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C66H42N2O/c1-3-16-44(17-4-1)52-27-15-28-58-61-42-64(55-24-11-12-26-57(55)66(61)69-65(52)58)67(50-37-32-45(33-38-50)59-41-47-18-7-8-21-51(47)53-22-9-10-23-54(53)59)49-35-30-43(31-36-49)46-34-39-63-60(40-46)56-25-13-14-29-62(56)68(63)48-19-5-2-6-20-48/h1-42H
InChIKeyLJPXJCYJUNESCS-UHFFFAOYSA-N
MW879.08 g/mol
LogP18.61
Rot. Bonds7

About N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167277934) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167277934
Molecular FormulaC66H42N2O
Molecular Weight879.08 g/mol
Exact Mass878.33
IUPAC NameN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C66H42N2O/c1-3-16-44(17-4-1)52-27-15-28-58-61-42-64(55-24-11-12-26-57(55)66(61)69-65(52)58)67(50-37-32-45(33-38-50)59-41-47-18-7-8-21-51(47)53-22-9-10-23-54(53)59)49-35-30-43(31-36-49)46-34-39-63-60(40-46)56-25-13-14-29-62(56)68(63)48-19-5-2-6-20-48/h1-42H
InChIKeyLJPXJCYJUNESCS-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-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine
CID 167277947
9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
CID 167143325
N-(4-carbazol-9-ylphenyl)-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143326
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N,4-diphenyl-N-[4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]phenyl]aniline;N-[4-(6-methyl-9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160819898
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
CID 177121504
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167143696
3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664196

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (CID 167277934) is N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is LJPXJCYJUNESCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-3-16-44(17-4-1)52-27-15-28-58-61-42-64(55-24-11-12-26-57(55)66(61)69-65(52)58)67(50-37-32-45(33-38-50)59-41-47-18-7-8-21-51(47)53-22-9-10-23-54(53)59)49-35-30-43(31-36-49)46-34-39-63-60(40-46)56-25-13-14-29-62(56)68(63)48-19-5-2-6-20-48/h1-42H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine 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 N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167277934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).