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

C59H39N3 — CID 122424886

IUPACN-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
SMILESc1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c(ccc8ccccc87)c6)cc5)c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C59H39N3/c1-3-14-43(15-4-1)59-60-57-39-46(28-35-58(57)62(59)49-18-5-2-6-19-49)45-17-11-16-44(36-45)40-26-29-50(30-27-40)61(51-31-33-55-47(37-51)24-22-41-12-7-9-20-53(41)55)52-32-34-56-48(38-52)25-23-42-13-8-10-21-54(42)56/h1-39H
InChIKeyJHAUBPGCAOHOGZ-UHFFFAOYSA-N
MW789.98 g/mol
LogP16.11
Rot. Bonds7

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

N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine (PubChem CID 122424886) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
PubChem CID122424886
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC NameN-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
SMILESc1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c(ccc8ccccc87)c6)cc5)c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C59H39N3/c1-3-14-43(15-4-1)59-60-57-39-46(28-35-58(57)62(59)49-18-5-2-6-19-49)45-17-11-16-44(36-45)40-26-29-50(30-27-40)61(51-31-33-55-47(37-51)24-22-41-12-7-9-20-53(41)55)52-32-34-56-48(38-52)25-23-42-13-8-10-21-54(42)56/h1-39H
InChIKeyJHAUBPGCAOHOGZ-UHFFFAOYSA-N
XLogP16.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 516.11
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-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 171736333
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
CID 172504367
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine?
The IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine (CID 122424886) is N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine.
What is the SMILES notation for N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine?
The canonical SMILES for N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine is c1ccc(-c2nc3cc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c(ccc8ccccc87)c6)cc5)c4)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine?
The InChIKey is JHAUBPGCAOHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-3-14-43(15-4-1)59-60-57-39-46(28-35-58(57)62(59)49-18-5-2-6-19-49)45-17-11-16-44(36-45)40-26-29-50(30-27-40)61(51-31-33-55-47(37-51)24-22-41-12-7-9-20-53(41)55)52-32-34-56-48(38-52)25-23-42-13-8-10-21-54(42)56/h1-39H.
What are the key properties of N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine?
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine has a molecular weight of 789.98 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine is sourced from PubChem (CID 122424886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).