1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene

C62H74 — CID 157179117

IUPAC1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
SMILESCC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14.2C16H12.6C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;6*1-2/h1-14H;2*1-12H;6*1-2H3
InChIKeyAOJCGIFBVOLGDY-UHFFFAOYSA-N
MW819.27 g/mol
LogP20.19
Rot. Bonds4

About 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene

1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene (PubChem CID 157179117) has the molecular formula C62H74 and a molecular weight of 819.27 g/mol. Its IUPAC name is 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene.

Molecular Properties

Compound Name1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
PubChem CID157179117
Molecular FormulaC62H74
Molecular Weight819.27 g/mol
Exact Mass818.58
IUPAC Name1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
SMILESCC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14.2C16H12.6C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;6*1-2/h1-14H;2*1-12H;6*1-2H3
InChIKeyAOJCGIFBVOLGDY-UHFFFAOYSA-N
XLogP20.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.27
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
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
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
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-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-[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-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
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene?
The IUPAC name of 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene (CID 157179117) is 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene.
What is the SMILES notation for 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene?
The canonical SMILES for 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene is CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene?
The InChIKey is AOJCGIFBVOLGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.2C16H12.6C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;6*1-2/h1-14H;2*1-12H;6*1-2H3.
What are the key properties of 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene?
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene has a molecular weight of 819.27 g/mol, XLogP of 20.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene is sourced from PubChem (CID 157179117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).