N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine

C53H34N4 — CID 171055196

IUPACN,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccc(N(c8ccccc8)c8ccccc8)cc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C53H34N4/c1-4-12-36(13-5-1)47-32-28-39-24-25-40-29-33-48(55-53(40)52(39)54-47)37-20-22-38(23-21-37)51-45-31-27-35-26-30-43(34-46(35)50(45)44-18-10-11-19-49(44)56-51)57(41-14-6-2-7-15-41)42-16-8-3-9-17-42/h1-34H
InChIKeyHJZPDGGAZYEFQY-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.11
Rot. Bonds6

About N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine

N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine (PubChem CID 171055196) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine
PubChem CID171055196
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC NameN,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccc(N(c8ccccc8)c8ccccc8)cc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C53H34N4/c1-4-12-36(13-5-1)47-32-28-39-24-25-40-29-33-48(55-53(40)52(39)54-47)37-20-22-38(23-21-37)51-45-31-27-35-26-30-43(34-46(35)50(45)44-18-10-11-19-49(44)56-51)57(41-14-6-2-7-15-41)42-16-8-3-9-17-42/h1-34H
InChIKeyHJZPDGGAZYEFQY-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-3-amine
CID 171055047
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
4-[2-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054837
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230955
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
6-[4-(1,8-phenanthrolin-7-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-3-amine
CID 171055269
N-[4-[12-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 171054886
4-[8-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055002
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine?
The IUPAC name of N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine (CID 171055196) is N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine.
What is the SMILES notation for N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine?
The canonical SMILES for N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccc(N(c8ccccc8)c8ccccc8)cc67)cc5)nc4c3n2)cc1.
What is the InChIKey of N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine?
The InChIKey is HJZPDGGAZYEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-12-36(13-5-1)47-32-28-39-24-25-40-29-33-48(55-53(40)52(39)54-47)37-20-22-38(23-21-37)51-45-31-27-35-26-30-43(34-46(35)50(45)44-18-10-11-19-49(44)56-51)57(41-14-6-2-7-15-41)42-16-8-3-9-17-42/h1-34H.
What are the key properties of N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine?
N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-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-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine is sourced from PubChem (CID 171055196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).