9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene

C98H64 — CID 159267964

IUPAC9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C52H34.C46H30/c1-3-13-35(14-4-1)44-32-45(36-15-5-2-6-16-36)34-46(33-44)52-49-21-11-9-19-47(49)51(48-20-10-12-22-50(48)52)42-28-25-38-24-27-41(30-43(38)31-42)40-26-23-37-17-7-8-18-39(37)29-40;1-2-12-31(13-3-1)34-16-10-17-36(28-34)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)37-27-25-32-24-26-35(29-38(32)30-37)40-23-11-15-33-14-4-5-18-39(33)40/h1-34H;1-30H
InChIKeyKXIOBXCMUHIFQL-UHFFFAOYSA-N
MW1241.59 g/mol
LogP27.60
Rot. Bonds9

About 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene

9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene (PubChem CID 159267964) has the molecular formula C98H64 and a molecular weight of 1241.59 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene
PubChem CID159267964
Molecular FormulaC98H64
Molecular Weight1241.59 g/mol
Exact Mass1240.50
IUPAC Name9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C52H34.C46H30/c1-3-13-35(14-4-1)44-32-45(36-15-5-2-6-16-36)34-46(33-44)52-49-21-11-9-19-47(49)51(48-20-10-12-22-50(48)52)42-28-25-38-24-27-41(30-43(38)31-42)40-26-23-37-17-7-8-18-39(37)29-40;1-2-12-31(13-3-1)34-16-10-17-36(28-34)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)37-27-25-32-24-26-35(29-38(32)30-37)40-23-11-15-33-14-4-5-18-39(33)40/h1-34H;1-30H
InChIKeyKXIOBXCMUHIFQL-UHFFFAOYSA-N
XLogP27.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.59
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[7-(3,5-diphenylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene;9-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene
CID 160659436
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
9-naphthalen-2-yl-10-[3-naphthalen-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-yl-5-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]-5-phenylphenyl]anthracene;9-naphthalen-2-yl-10-[3-phenyl-5-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 158188509
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590178
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene (CID 159267964) is 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene?
The InChIKey is KXIOBXCMUHIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34.C46H30/c1-3-13-35(14-4-1)44-32-45(36-15-5-2-6-16-36)34-46(33-44)52-49-21-11-9-19-47(49)51(48-20-10-12-22-50(48)52)42-28-25-38-24-27-41(30-43(38)31-42)40-26-23-37-17-7-8-18-39(37)29-40;1-2-12-31(13-3-1)34-16-10-17-36(28-34)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)37-27-25-32-24-26-35(29-38(32)30-37)40-23-11-15-33-14-4-5-18-39(33)40/h1-34H;1-30H.
What are the key properties of 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene?
9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene has a molecular weight of 1241.59 g/mol, XLogP of 27.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 159267964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).