1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline

C69H43N — CID 146188874

IUPAC1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)c5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C69H43N/c1-2-17-49(18-3-1)66-43-63(69-57-21-9-8-16-46(57)35-39-65(69)70-66)48-30-28-47(29-31-48)55-37-38-56(59-23-11-10-22-58(55)59)52-34-36-62-64(42-52)68(54-33-27-45-15-5-7-20-51(45)41-54)61-25-13-12-24-60(61)67(62)53-32-26-44-14-4-6-19-50(44)40-53/h1-43H
InChIKeyIGHKXZLFTMXCCD-UHFFFAOYSA-N
MW886.11 g/mol
LogP19.16
Rot. Bonds6

About 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline

1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline (PubChem CID 146188874) has the molecular formula C69H43N and a molecular weight of 886.11 g/mol. Its IUPAC name is 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
PubChem CID146188874
Molecular FormulaC69H43N
Molecular Weight886.11 g/mol
Exact Mass885.34
IUPAC Name1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)c5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C69H43N/c1-2-17-49(18-3-1)66-43-63(69-57-21-9-8-16-46(57)35-39-65(69)70-66)48-30-28-47(29-31-48)55-37-38-56(59-23-11-10-22-58(55)59)52-34-36-62-64(42-52)68(54-33-27-45-15-5-7-20-51(45)41-54)61-25-13-12-24-60(61)67(62)53-32-26-44-14-4-6-19-50(44)40-53/h1-43H
InChIKeyIGHKXZLFTMXCCD-UHFFFAOYSA-N
XLogP19.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.11
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
CID 166569139
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
CID 166569182
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643749
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138643643

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline?
The IUPAC name of 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline (CID 146188874) is 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline.
What is the SMILES notation for 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline?
The canonical SMILES for 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)c5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline?
The InChIKey is IGHKXZLFTMXCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N/c1-2-17-49(18-3-1)66-43-63(69-57-21-9-8-16-46(57)35-39-65(69)70-66)48-30-28-47(29-31-48)55-37-38-56(59-23-11-10-22-58(55)59)52-34-36-62-64(42-52)68(54-33-27-45-15-5-7-20-51(45)41-54)61-25-13-12-24-60(61)67(62)53-32-26-44-14-4-6-19-50(44)40-53/h1-43H.
What are the key properties of 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline?
1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline has a molecular weight of 886.11 g/mol, XLogP of 19.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 146188874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).