N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine

C58H35N3 — CID 163512623

IUPACN-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(N(c2cc3c4c(cccc4c2)-c2c-3c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3ccccc3c2)c2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C58H35N3/c1-2-18-45(19-3-1)61(51-30-29-39-26-25-38-17-11-31-59-57(38)58(39)60-51)46-34-42-16-10-22-49-52(42)50(35-46)56-54(44-28-24-37-13-5-7-15-41(37)33-44)48-21-9-8-20-47(48)53(55(49)56)43-27-23-36-12-4-6-14-40(36)32-43/h1-35H
InChIKeyDDZFKANYKHSRAZ-UHFFFAOYSA-N
MW773.94 g/mol
LogP15.85
Rot. Bonds5

About N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine

N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine (PubChem CID 163512623) has the molecular formula C58H35N3 and a molecular weight of 773.94 g/mol. Its IUPAC name is N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine
PubChem CID163512623
Molecular FormulaC58H35N3
Molecular Weight773.94 g/mol
Exact Mass773.28
IUPAC NameN-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(N(c2cc3c4c(cccc4c2)-c2c-3c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3ccccc3c2)c2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C58H35N3/c1-2-18-45(19-3-1)61(51-30-29-39-26-25-38-17-11-31-59-57(38)58(39)60-51)46-34-42-16-10-22-49-52(42)50(35-46)56-54(44-28-24-37-13-5-7-15-41(37)33-44)48-21-9-8-20-47(48)53(55(49)56)43-27-23-36-12-4-6-14-40(36)32-43/h1-35H
InChIKeyDDZFKANYKHSRAZ-UHFFFAOYSA-N
XLogP15.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 515.85
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-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 58121682
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
CID 166860611
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
CID 58121679
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine
CID 89061988
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100

Frequently Asked Questions

What is the IUPAC name of N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine?
The IUPAC name of N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine (CID 163512623) is N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine is c1ccc(N(c2cc3c4c(cccc4c2)-c2c-3c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3ccccc3c2)c2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine?
The InChIKey is DDZFKANYKHSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3/c1-2-18-45(19-3-1)61(51-30-29-39-26-25-38-17-11-31-59-57(38)58(39)60-51)46-34-42-16-10-22-49-52(42)50(35-46)56-54(44-28-24-37-13-5-7-15-41(37)33-44)48-21-9-8-20-47(48)53(55(49)56)43-27-23-36-12-4-6-14-40(36)32-43/h1-35H.
What are the key properties of N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine?
N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine has a molecular weight of 773.94 g/mol, XLogP of 15.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 163512623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).