N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C57H39N3 — CID 166889866

IUPACN-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(nc(-c7ccccc7)n6-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C57H39N3/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)46-31-38-52-51-23-13-14-24-53(51)56-55(54(52)39-46)58-57(45-19-9-3-10-20-45)60(56)47-21-11-4-12-22-47/h1-39H
InChIKeyWIKKZAYDUBUBSQ-UHFFFAOYSA-N
MW765.96 g/mol
LogP15.47
Rot. Bonds8

About N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166889866) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166889866
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC NameN-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(nc(-c7ccccc7)n6-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C57H39N3/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)46-31-38-52-51-23-13-14-24-53(51)56-55(54(52)39-46)58-57(45-19-9-3-10-20-45)60(56)47-21-11-4-12-22-47/h1-39H
InChIKeyWIKKZAYDUBUBSQ-UHFFFAOYSA-N
XLogP15.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 515.47
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

5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
CID 59188554
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865
4-[4-[2-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazol-3-yl]phenyl]benzonitrile
CID 132513511
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
CID 58835685
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
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-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 166889866) is N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(nc(-c7ccccc7)n6-c6ccccc6)c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WIKKZAYDUBUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)46-31-38-52-51-23-13-14-24-53(51)56-55(54(52)39-46)58-57(45-19-9-3-10-20-45)60(56)47-21-11-4-12-22-47/h1-39H.
What are the key properties of N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 765.96 g/mol, XLogP of 15.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166889866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).