N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine

C53H34N4 — CID 171055047

IUPACN,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5nc6cc(N(c7ccccc7)c7ccccc7)ccc6c6c5ccc5ccccc56)nc4c3n2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-36(16-5-1)47-32-27-37-24-25-38-28-33-48(55-52(38)51(37)54-47)43-22-12-13-23-44(43)53-46-30-26-35-14-10-11-21-42(35)50(46)45-31-29-41(34-49(45)56-53)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-34H
InChIKeyCUDRQTJFEPYVSN-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.11
Rot. Bonds6

About N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine

N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine (PubChem CID 171055047) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine
PubChem CID171055047
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC NameN,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5nc6cc(N(c7ccccc7)c7ccccc7)ccc6c6c5ccc5ccccc56)nc4c3n2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-36(16-5-1)47-32-27-37-24-25-38-28-33-48(55-52(38)51(37)54-47)43-22-12-13-23-44(43)53-46-30-26-35-14-10-11-21-42(35)50(46)45-31-29-41(34-49(45)56-53)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-34H
InChIKeyCUDRQTJFEPYVSN-UHFFFAOYSA-N
XLogP14.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-4-amine
CID 171055000
N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine
CID 171055196
6-[2-(1,10-phenanthrolin-4-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-3-amine
CID 171055123
6-[4-(1,8-phenanthrolin-7-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-3-amine
CID 171055269
4-[4-[7-(1,10-phenanthrolin-2-yl)benzo[k]phenanthridin-6-yl]phenyl]-N,N-diphenylaniline
CID 171055228
11-diphenylphosphoryl-N,N,6-triphenylbenzo[k]phenanthridin-3-amine
CID 171054642
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
4-[2-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054837
4-[9-(4,6-diphenylpyrimidin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055149
6-[4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 146230985
3-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139445967
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine?
The IUPAC name of N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine (CID 171055047) is N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine.
What is the SMILES notation for N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine?
The canonical SMILES for N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine is c1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5nc6cc(N(c7ccccc7)c7ccccc7)ccc6c6c5ccc5ccccc56)nc4c3n2)cc1.
What is the InChIKey of N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine?
The InChIKey is CUDRQTJFEPYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-15-36(16-5-1)47-32-27-37-24-25-38-28-33-48(55-52(38)51(37)54-47)43-22-12-13-23-44(43)53-46-30-26-35-14-10-11-21-42(35)50(46)45-31-29-41(34-49(45)56-53)57(39-17-6-2-7-18-39)40-19-8-3-9-20-40/h1-34H.
What are the key properties of N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine?
N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine has a molecular weight of 726.88 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-3-amine is sourced from PubChem (CID 171055047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).