(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone

C28H19ClO — CID 53375503

IUPAC(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
SMILESCc1ccc2c(-c3ccccc3)cc3ccccc3c2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClO/c1-18-11-16-24-25(19-7-3-2-4-8-19)17-21-9-5-6-10-23(21)27(24)26(18)28(30)20-12-14-22(29)15-13-20/h2-17H,1H3
InChIKeyKXNJRAWHNXFVQY-UHFFFAOYSA-N
MW406.91 g/mol
LogP7.85
Rot. Bonds3

About (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone

(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone (PubChem CID 53375503) has the molecular formula C28H19ClO and a molecular weight of 406.91 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
PubChem CID53375503
Molecular FormulaC28H19ClO
Molecular Weight406.91 g/mol
Exact Mass406.11
IUPAC Name(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
SMILESCc1ccc2c(-c3ccccc3)cc3ccccc3c2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClO/c1-18-11-16-24-25(19-7-3-2-4-8-19)17-21-9-5-6-10-23(21)27(24)26(18)28(30)20-12-14-22(29)15-13-20/h2-17H,1H3
InChIKeyKXNJRAWHNXFVQY-UHFFFAOYSA-N
XLogP7.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
4-chlorobenzoyl chloride;(4-chlorophenyl)-(2,6-diphenylphenyl)methanone;2-[1-(4-chlorophenyl)ethenyl]-1,3-diphenylbenzene;10-(4-chlorophenyl)-1-phenylphenanthrene;1,3-dichloro-2-iodobenzene;2-iodo-1,3-diphenylbenzene
CID 158383232
(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
CID 5259949
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
9-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177100193
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone
CID 10827816
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone
CID 164674818
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone (CID 53375503) is (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone is Cc1ccc2c(-c3ccccc3)cc3ccccc3c2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone?
The InChIKey is KXNJRAWHNXFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClO/c1-18-11-16-24-25(19-7-3-2-4-8-19)17-21-9-5-6-10-23(21)27(24)26(18)28(30)20-12-14-22(29)15-13-20/h2-17H,1H3.
What are the key properties of (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone?
(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone has a molecular weight of 406.91 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone is sourced from PubChem (CID 53375503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).