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

C66H42N2O — CID 167277947

IUPACN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c4cccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4ccc32)cc1
InChIInChI=1S/C66H42N2O/c1-3-15-44(16-4-1)52-24-13-25-58-59-39-38-56-57(66(59)69-65(52)58)26-14-28-62(56)67(50-36-31-45(32-37-50)60-42-47-17-7-8-20-51(47)53-21-9-10-22-54(53)60)49-34-29-43(30-35-49)46-33-40-64-61(41-46)55-23-11-12-27-63(55)68(64)48-18-5-2-6-19-48/h1-42H
InChIKeyYDNQRYILMIYYBL-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-4-amine

N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine (PubChem CID 167277947) 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-4-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine
PubChem CID167277947
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-4-amine
SMILESc1ccc(-c2cccc3c2oc2c4cccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4ccc32)cc1
InChIInChI=1S/C66H42N2O/c1-3-15-44(16-4-1)52-24-13-25-58-59-39-38-56-57(66(59)69-65(52)58)26-14-28-62(56)67(50-36-31-45(32-37-50)60-42-47-17-7-8-20-51(47)53-21-9-10-22-54(53)60)49-34-29-43(30-35-49)46-33-40-64-61(41-46)55-23-11-12-27-63(55)68(64)48-18-5-2-6-19-48/h1-42H
InChIKeyYDNQRYILMIYYBL-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-5-amine
CID 167277934
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
CID 177121504
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
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-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 155318425
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
CID 167143325
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505

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-4-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-4-amine (CID 167277947) is N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-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-4-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-4-amine is c1ccc(-c2cccc3c2oc2c4cccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4ccc32)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-4-amine?
The InChIKey is YDNQRYILMIYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-3-15-44(16-4-1)52-24-13-25-58-59-39-38-56-57(66(59)69-65(52)58)26-14-28-62(56)67(50-36-31-45(32-37-50)60-42-47-17-7-8-20-51(47)53-21-9-10-22-54(53)60)49-34-29-43(30-35-49)46-33-40-64-61(41-46)55-23-11-12-27-63(55)68(64)48-18-5-2-6-19-48/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-4-amine?
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-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-4-amine is sourced from PubChem (CID 167277947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).