1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene

C54H34 — CID 59793090

IUPAC1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1
InChIInChI=1S/C54H34/c1-3-15-37(16-4-1)43-21-11-12-22-44(43)52-34-51(42-26-24-36-14-8-10-20-40(36)32-42)47-28-27-45-49(38-17-5-2-6-18-38)33-50(46-29-30-48(52)54(47)53(45)46)41-25-23-35-13-7-9-19-39(35)31-41/h1-34H
InChIKeySRWMCWAGIDRYLC-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.23
Rot. Bonds5

About 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene

1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene (PubChem CID 59793090) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene.

Molecular Properties

Compound Name1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
PubChem CID59793090
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1
InChIInChI=1S/C54H34/c1-3-15-37(16-4-1)43-21-11-12-22-44(43)52-34-51(42-26-24-36-14-8-10-20-40(36)32-42)47-28-27-45-49(38-17-5-2-6-18-38)33-50(46-29-30-48(52)54(47)53(45)46)41-25-23-35-13-7-9-19-39(35)31-41/h1-34H
InChIKeySRWMCWAGIDRYLC-UHFFFAOYSA-N
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 159827500
1,6-bis(3-naphthalen-2-ylphenyl)-3,8-diphenylpyrene
CID 170778813
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
CID 59391099
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(3-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 157103294
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
4-naphthalen-2-yl-1,6-diphenylpyrene
CID 167335387
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene
CID 161048400
1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(2-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(3-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(4-phenylphenyl)pyrene
CID 159896209
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914

Frequently Asked Questions

What is the IUPAC name of 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene?
The IUPAC name of 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene (CID 59793090) is 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene.
What is the SMILES notation for 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene?
The canonical SMILES for 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene is c1ccc(-c2ccccc2-c2cc(-c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.
What is the InChIKey of 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene?
The InChIKey is SRWMCWAGIDRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-15-37(16-4-1)43-21-11-12-22-44(43)52-34-51(42-26-24-36-14-8-10-20-40(36)32-42)47-28-27-45-49(38-17-5-2-6-18-38)33-50(46-29-30-48(52)54(47)53(45)46)41-25-23-35-13-7-9-19-39(35)31-41/h1-34H.
What are the key properties of 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene?
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene has a molecular weight of 682.87 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene is sourced from PubChem (CID 59793090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).