5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene

C23H18Cl2 — CID 145266499

IUPAC5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene
SMILESCCC1=c2c(Cl)c3ccccc3c(Cl)c2=CC=C(c2ccccc2)C1
InChIInChI=1S/C23H18Cl2/c1-2-15-14-17(16-8-4-3-5-9-16)12-13-20-21(15)23(25)19-11-7-6-10-18(19)22(20)24/h3-13H,2,14H2,1H3
InChIKeyNMFMCORMGNEYHU-UHFFFAOYSA-N
MW365.30 g/mol
LogP5.98
Rot. Bonds2

About 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene

5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene (PubChem CID 145266499) has the molecular formula C23H18Cl2 and a molecular weight of 365.30 g/mol. Its IUPAC name is 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene
PubChem CID145266499
Molecular FormulaC23H18Cl2
Molecular Weight365.30 g/mol
Exact Mass364.08
IUPAC Name5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene
SMILESCCC1=c2c(Cl)c3ccccc3c(Cl)c2=CC=C(c2ccccc2)C1
InChIInChI=1S/C23H18Cl2/c1-2-15-14-17(16-8-4-3-5-9-16)12-13-20-21(15)23(25)19-11-7-6-10-18(19)22(20)24/h3-13H,2,14H2,1H3
InChIKeyNMFMCORMGNEYHU-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 139667594
9-chloro-10-ethylanthracene
CID 23018360
(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
CID 59251609
[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
CID 175047118
4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid
CID 175048590
N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 70847371
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
1,1'-biphenyl;chlorophosphane;nickel;propane
CID 173340359
N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
CID 118513323
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
2-(3,5-dichlorophenyl)-N-(4-ethyl-3-methylcyclohexa-1,3-dien-1-yl)quinazolin-4-amine
CID 163752155

Frequently Asked Questions

What is the IUPAC name of 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene?
The IUPAC name of 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene (CID 145266499) is 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene.
What is the SMILES notation for 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene?
The canonical SMILES for 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene is CCC1=c2c(Cl)c3ccccc3c(Cl)c2=CC=C(c2ccccc2)C1.
What is the InChIKey of 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene?
The InChIKey is NMFMCORMGNEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2/c1-2-15-14-17(16-8-4-3-5-9-16)12-13-20-21(15)23(25)19-11-7-6-10-18(19)22(20)24/h3-13H,2,14H2,1H3.
What are the key properties of 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene?
5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene has a molecular weight of 365.30 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dichloro-10-ethyl-8-phenyl-9H-cyclohepta[b]naphthalene is sourced from PubChem (CID 145266499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).