8-methyl-7,12-diphenylbenzo[k]fluoranthene

C33H22 — CID 154225816

IUPAC8-methyl-7,12-diphenylbenzo[k]fluoranthene
SMILESCc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12
InChIInChI=1S/C33H22/c1-21-11-8-18-25-28(21)31(24-14-6-3-7-15-24)33-27-20-10-17-22-16-9-19-26(29(22)27)32(33)30(25)23-12-4-2-5-13-23/h2-20H,1H3
InChIKeyRTNCHWVLMDTYML-UHFFFAOYSA-N
MW418.54 g/mol
LogP9.28
Rot. Bonds2

About 8-methyl-7,12-diphenylbenzo[k]fluoranthene

8-methyl-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 154225816) has the molecular formula C33H22 and a molecular weight of 418.54 g/mol. Its IUPAC name is 8-methyl-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name8-methyl-7,12-diphenylbenzo[k]fluoranthene
PubChem CID154225816
Molecular FormulaC33H22
Molecular Weight418.54 g/mol
Exact Mass418.17
IUPAC Name8-methyl-7,12-diphenylbenzo[k]fluoranthene
SMILESCc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12
InChIInChI=1S/C33H22/c1-21-11-8-18-25-28(21)31(24-14-6-3-7-15-24)33-27-20-10-17-22-16-9-19-26(29(22)27)32(33)30(25)23-12-4-2-5-13-23/h2-20H,1H3
InChIKeyRTNCHWVLMDTYML-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
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
5-methyl-16-(2-phenylphenyl)octacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2(30),3,5,7,9,11(28),12,14,16,18,20,22(29),23,25-pentadecaene
CID 59642879
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
3,10-bis(2-methyl-6-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
CID 59642678
3,13-diphenyl-8λ6-thiahexacyclo[13.7.1.02,14.04,12.06,10.019,23]tricosa-1(22),2,4(12),5,10,13,15,17,19(23),20-decaene 8,8-dioxide
CID 101161450
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 8-methyl-7,12-diphenylbenzo[k]fluoranthene (CID 154225816) is 8-methyl-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 8-methyl-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 8-methyl-7,12-diphenylbenzo[k]fluoranthene is Cc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12.
What is the InChIKey of 8-methyl-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is RTNCHWVLMDTYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22/c1-21-11-8-18-25-28(21)31(24-14-6-3-7-15-24)33-27-20-10-17-22-16-9-19-26(29(22)27)32(33)30(25)23-12-4-2-5-13-23/h2-20H,1H3.
What are the key properties of 8-methyl-7,12-diphenylbenzo[k]fluoranthene?
8-methyl-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 418.54 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 154225816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).