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

C60H38 — CID 59391099

IUPAC1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7ccccc7c6)c6ccc3c4c56)c2)cc1
InChIInChI=1S/C60H38/c1-3-13-39(14-4-1)45-21-11-23-47(33-45)55-37-57(49-27-25-41-17-7-9-19-43(41)35-49)53-32-30-52-56(48-24-12-22-46(34-48)40-15-5-2-6-16-40)38-58(54-31-29-51(55)59(53)60(52)54)50-28-26-42-18-8-10-20-44(42)36-50/h1-38H
InChIKeyWBVCIKHXHACWPO-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.89
Rot. Bonds6

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

1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene (PubChem CID 59391099) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene.

Molecular Properties

Compound Name1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
PubChem CID59391099
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7ccccc7c6)c6ccc3c4c56)c2)cc1
InChIInChI=1S/C60H38/c1-3-13-39(14-4-1)45-21-11-23-47(33-45)55-37-57(49-27-25-41-17-7-9-19-43(41)35-49)53-32-30-52-56(48-24-12-22-46(34-48)40-15-5-2-6-16-40)38-58(54-31-29-51(55)59(53)60(52)54)50-28-26-42-18-8-10-20-44(42)36-50/h1-38H
InChIKeyWBVCIKHXHACWPO-UHFFFAOYSA-N
XLogP16.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.89
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

1,6-bis(3-naphthalen-2-ylphenyl)-3,8-diphenylpyrene
CID 170778813
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-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
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
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
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
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635

Frequently Asked Questions

What is the IUPAC name of 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene?
The IUPAC name of 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene (CID 59391099) is 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene.
What is the SMILES notation for 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene?
The canonical SMILES for 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene is c1ccc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7ccccc7c6)c6ccc3c4c56)c2)cc1.
What is the InChIKey of 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene?
The InChIKey is WBVCIKHXHACWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-3-13-39(14-4-1)45-21-11-23-47(33-45)55-37-57(49-27-25-41-17-7-9-19-43(41)35-49)53-32-30-52-56(48-24-12-22-46(34-48)40-15-5-2-6-16-40)38-58(54-31-29-51(55)59(53)60(52)54)50-28-26-42-18-8-10-20-44(42)36-50/h1-38H.
What are the key properties of 1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene?
1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene has a molecular weight of 758.96 g/mol, XLogP of 16.89, 6 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-3,8-bis(3-phenylphenyl)pyrene is sourced from PubChem (CID 59391099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).