N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline

C39H27N3 — CID 59188546

IUPACN,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C39H27N3/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30)32-26-24-28(25-27-32)39-40-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38(37)42(39)31-18-8-3-9-19-31/h1-27H
InChIKeyTZXAKMKRDGBSDL-UHFFFAOYSA-N
MW537.67 g/mol
LogP10.47
Rot. Bonds5

About N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline

N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline (PubChem CID 59188546) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline
PubChem CID59188546
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC NameN,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C39H27N3/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30)32-26-24-28(25-27-32)39-40-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38(37)42(39)31-18-8-3-9-19-31/h1-27H
InChIKeyTZXAKMKRDGBSDL-UHFFFAOYSA-N
XLogP10.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 510.47
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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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline (CID 59188546) is N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline?
The InChIKey is TZXAKMKRDGBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30)32-26-24-28(25-27-32)39-40-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38(37)42(39)31-18-8-3-9-19-31/h1-27H.
What are the key properties of N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline?
N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline has a molecular weight of 537.67 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline is sourced from PubChem (CID 59188546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).