[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid

C27H21NO2 — CID 121399256

IUPAC[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc3ccccc3c2-c2cccc3ccccc23)C=CC=CC1
InChIInChI=1S/C27H21NO2/c29-26(30)28-27(17-6-1-7-18-27)24-16-15-20-10-3-5-13-22(20)25(24)23-14-8-11-19-9-2-4-12-21(19)23/h1-17,28H,18H2,(H,29,30)
InChIKeySAFFJPBUUZVODR-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.64
Rot. Bonds3

About [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid

[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid (PubChem CID 121399256) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid
PubChem CID121399256
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc3ccccc3c2-c2cccc3ccccc23)C=CC=CC1
InChIInChI=1S/C27H21NO2/c29-26(30)28-27(17-6-1-7-18-27)24-16-15-20-10-3-5-13-22(20)25(24)23-14-8-11-19-9-2-4-12-21(19)23/h1-17,28H,18H2,(H,29,30)
InChIKeySAFFJPBUUZVODR-UHFFFAOYSA-N
XLogP6.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol
CID 175313272
[4-[[(1S)-1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl]amino]phenyl]boronic acid
CID 99874152
8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
CID 168808880
3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid
CID 101432831
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1-(2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117328645
CID 71360808
CID 71360808
Silanol, methyl-1-naphthalenylphenyl-, (1S)-
CID 71352797
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120

Frequently Asked Questions

What is the IUPAC name of [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid?
The IUPAC name of [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid (CID 121399256) is [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid.
What is the SMILES notation for [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid?
The canonical SMILES for [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid is O=C(O)NC1(c2ccc3ccccc3c2-c2cccc3ccccc23)C=CC=CC1.
What is the InChIKey of [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid?
The InChIKey is SAFFJPBUUZVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c29-26(30)28-27(17-6-1-7-18-27)24-16-15-20-10-3-5-13-22(20)25(24)23-14-8-11-19-9-2-4-12-21(19)23/h1-17,28H,18H2,(H,29,30).
What are the key properties of [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid?
[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid has a molecular weight of 391.47 g/mol, XLogP of 6.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid is sourced from PubChem (CID 121399256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).