12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene

C33H24 — CID 143872518

IUPAC12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene
SMILESCc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1C1C=CC=CC1
InChIInChI=1S/C33H24/c1-21-19-20-28-31-24(21)17-10-18-27(31)32-29(22-11-4-2-5-12-22)25-15-8-9-16-26(25)30(33(28)32)23-13-6-3-7-14-23/h2-11,13-20,22H,12H2,1H3
InChIKeyWPTDPLGZGHZCFI-UHFFFAOYSA-N
MW420.56 g/mol
LogP9.22
Rot. Bonds2

About 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene

12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene (PubChem CID 143872518) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene
PubChem CID143872518
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene
SMILESCc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1C1C=CC=CC1
InChIInChI=1S/C33H24/c1-21-19-20-28-31-24(21)17-10-18-27(31)32-29(22-11-4-2-5-12-22)25-15-8-9-16-26(25)30(33(28)32)23-13-6-3-7-14-23/h2-11,13-20,22H,12H2,1H3
InChIKeyWPTDPLGZGHZCFI-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
CID 155028273
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
16-cyclohexa-2,4-dien-1-yl-13,21,28-triphenylheptacyclo[16.12.0.02,11.04,9.012,17.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123283648
1-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-9-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran
CID 166689865
5-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)-1,2,4-triphenylbenzo[e][1]benzothiole
CID 143963714
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166742903
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-methyl-N,N-bis(2-methylphenyl)aniline
CID 144604884
8,13-dimethyl-3,18-diphenylundecacyclo[21.12.2.29,12.124,28.02,19.04,17.05,10.011,16.020,36.033,37.032,38]tetraconta-1(36),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24,26,28(38),29,31,33(37),34,39-icosaene
CID 59090336
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142912

Frequently Asked Questions

What is the IUPAC name of 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene?
The IUPAC name of 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene (CID 143872518) is 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene.
What is the SMILES notation for 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene?
The canonical SMILES for 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene is Cc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1C1C=CC=CC1.
What is the InChIKey of 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene?
The InChIKey is WPTDPLGZGHZCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-21-19-20-28-31-24(21)17-10-18-27(31)32-29(22-11-4-2-5-12-22)25-15-8-9-16-26(25)30(33(28)32)23-13-6-3-7-14-23/h2-11,13-20,22H,12H2,1H3.
What are the key properties of 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene?
12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene has a molecular weight of 420.56 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene is sourced from PubChem (CID 143872518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).