N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C58H36N2O — CID 168781636

IUPACN-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cccc6c5oc5c7ccccc7ccc65)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C58H36N2O/c1-2-14-43(15-3-1)60-55-35-42(28-32-49(55)50-33-26-39-12-5-8-17-47(39)56(50)60)37-23-29-44(30-24-37)59(45-31-25-41-22-21-38-11-4-7-16-46(38)53(41)36-45)54-20-10-19-51-52-34-27-40-13-6-9-18-48(40)57(52)61-58(51)54/h1-36H
InChIKeyYQUQBWMOWRUULM-UHFFFAOYSA-N
MW776.94 g/mol
LogP16.43
Rot. Bonds5

About N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168781636) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID168781636
Molecular FormulaC58H36N2O
Molecular Weight776.94 g/mol
Exact Mass776.28
IUPAC NameN-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cccc6c5oc5c7ccccc7ccc65)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C58H36N2O/c1-2-14-43(15-3-1)60-55-35-42(28-32-49(55)50-33-26-39-12-5-8-17-47(39)56(50)60)37-23-29-44(30-24-37)59(45-31-25-41-22-21-38-11-4-7-16-46(38)53(41)36-45)54-20-10-19-51-52-34-27-40-13-6-9-18-48(40)57(52)61-58(51)54/h1-36H
InChIKeyYQUQBWMOWRUULM-UHFFFAOYSA-N
XLogP16.43
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 516.43
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-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782012
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 168781636) is N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-n2c3cc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cccc6c5oc5c7ccccc7ccc65)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is YQUQBWMOWRUULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-2-14-43(15-3-1)60-55-35-42(28-32-49(55)50-33-26-39-12-5-8-17-47(39)56(50)60)37-23-29-44(30-24-37)59(45-31-25-41-22-21-38-11-4-7-16-46(38)53(41)36-45)54-20-10-19-51-52-34-27-40-13-6-9-18-48(40)57(52)61-58(51)54/h1-36H.
What are the key properties of N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 776.94 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168781636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).