N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine

C289H191N15 — CID 159583043

IUPACN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)c3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/4C59H39N3.C53H35N3/c1-3-17-41(18-4-1)59-60-58-50(31-16-32-55(58)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-17-41(18-4-1)59-60-55-32-16-31-50(58(55)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-16-41(17-4-1)59-60-55-37-44(32-35-56(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(57-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)57)58-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)58;1-3-16-41(17-4-1)59-60-55-35-32-44(37-58(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(56-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)56)57-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)57;1-2-15-37(16-3-1)53-54-49-27-12-13-28-50(49)56(53)42-20-14-19-38(33-42)36-29-31-41(32-30-36)55(51-34-39-17-4-6-21-43(39)45-23-8-10-25-47(45)51)52-35-40-18-5-7-22-44(40)46-24-9-11-26-48(46)52/h4*1-39H;1-35H
InChIKeyMJGKLUXTHHZFFG-UHFFFAOYSA-N
MW3873.81 g/mol
LogP78.88
Rot. Bonds34

About N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine

N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 159583043) has the molecular formula C289H191N15 and a molecular weight of 3873.81 g/mol. Its IUPAC name is N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine
PubChem CID159583043
Molecular FormulaC289H191N15
Molecular Weight3873.81 g/mol
Exact Mass3870.54
IUPAC NameN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)c3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/4C59H39N3.C53H35N3/c1-3-17-41(18-4-1)59-60-58-50(31-16-32-55(58)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-17-41(18-4-1)59-60-55-32-16-31-50(58(55)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-16-41(17-4-1)59-60-55-37-44(32-35-56(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(57-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)57)58-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)58;1-3-16-41(17-4-1)59-60-55-35-32-44(37-58(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(56-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)56)57-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)57;1-2-15-37(16-3-1)53-54-49-27-12-13-28-50(49)56(53)42-20-14-19-38(33-42)36-29-31-41(32-30-36)55(51-34-39-17-4-6-21-43(39)45-23-8-10-25-47(45)51)52-35-40-18-5-7-22-44(40)46-24-9-11-26-48(46)52/h4*1-39H;1-35H
InChIKeyMJGKLUXTHHZFFG-UHFFFAOYSA-N
XLogP78.88
TPSA105.30 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms304
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003873.81
LogP ≤ 578.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine (CID 159583043) is N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)c4)c3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is MJGKLUXTHHZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C59H39N3.C53H35N3/c1-3-17-41(18-4-1)59-60-58-50(31-16-32-55(58)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-17-41(18-4-1)59-60-55-32-16-31-50(58(55)62(59)46-23-5-2-6-24-46)43-22-15-21-42(37-43)40-33-35-47(36-34-40)61(56-38-44-19-7-9-25-48(44)51-27-11-13-29-53(51)56)57-39-45-20-8-10-26-49(45)52-28-12-14-30-54(52)57;1-3-16-41(17-4-1)59-60-55-37-44(32-35-56(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(57-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)57)58-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)58;1-3-16-41(17-4-1)59-60-55-35-32-44(37-58(55)62(59)47-22-5-2-6-23-47)43-21-15-20-42(36-43)40-30-33-48(34-31-40)61(56-38-45-18-7-9-24-49(45)51-26-11-13-28-53(51)56)57-39-46-19-8-10-25-50(46)52-27-12-14-29-54(52)57;1-2-15-37(16-3-1)53-54-49-27-12-13-28-50(49)56(53)42-20-14-19-38(33-42)36-29-31-41(32-30-36)55(51-34-39-17-4-6-21-43(39)45-23-8-10-25-47(45)51)52-35-40-18-5-7-22-44(40)46-24-9-11-26-48(46)52/h4*1-39H;1-35H.
What are the key properties of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine?
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 3873.81 g/mol, XLogP of 78.88, 34 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 159583043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).