[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone

C69H42O3 — CID 58922083

IUPAC[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1ccc(-c2cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)c2)c2ccccc12
InChIInChI=1S/C69H42O3/c70-67(61-31-13-19-43-16-1-4-22-49(43)61)64-37-34-52(55-25-7-10-28-58(55)64)46-40-47(53-35-38-65(59-29-11-8-26-56(53)59)68(71)62-32-14-20-44-17-2-5-23-50(44)62)42-48(41-46)54-36-39-66(60-30-12-9-27-57(54)60)69(72)63-33-15-21-45-18-3-6-24-51(45)63/h1-42H
InChIKeyWVHCGBLYCVXZQW-UHFFFAOYSA-N
MW919.09 g/mol
LogP17.30
Rot. Bonds9

About [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone

[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone (PubChem CID 58922083) has the molecular formula C69H42O3 and a molecular weight of 919.09 g/mol. Its IUPAC name is [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
PubChem CID58922083
Molecular FormulaC69H42O3
Molecular Weight919.09 g/mol
Exact Mass918.31
IUPAC Name[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1ccc(-c2cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)c2)c2ccccc12
InChIInChI=1S/C69H42O3/c70-67(61-31-13-19-43-16-1-4-22-49(43)61)64-37-34-52(55-25-7-10-28-58(55)64)46-40-47(53-35-38-65(59-29-11-8-26-56(53)59)68(71)62-32-14-20-44-17-2-5-23-50(44)62)42-48(41-46)54-36-39-66(60-30-12-9-27-57(54)60)69(72)63-33-15-21-45-18-3-6-24-51(45)63/h1-42H
InChIKeyWVHCGBLYCVXZQW-UHFFFAOYSA-N
XLogP17.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.09
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
naphthalene-1-carbonyl iodide
CID 87393513

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone (CID 58922083) is [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1ccc(-c2cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)cc(-c3ccc(C(=O)c4cccc5ccccc45)c4ccccc34)c2)c2ccccc12.
What is the InChIKey of [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is WVHCGBLYCVXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42O3/c70-67(61-31-13-19-43-16-1-4-22-49(43)61)64-37-34-52(55-25-7-10-28-58(55)64)46-40-47(53-35-38-65(59-29-11-8-26-56(53)59)68(71)62-32-14-20-44-17-2-5-23-50(44)62)42-48(41-46)54-36-39-66(60-30-12-9-27-57(54)60)69(72)63-33-15-21-45-18-3-6-24-51(45)63/h1-42H.
What are the key properties of [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone?
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 919.09 g/mol, XLogP of 17.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 58922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).