7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene

C46H32 — CID 158890209

IUPAC7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
SMILESCc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4c(-c5ccccc5)ccc(-c5ccccc5)c24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C46H32/c1-29-19-23-34(24-20-29)41-43-36(31-11-5-3-6-12-31)27-28-37(32-13-7-4-8-14-32)44(43)42(35-25-21-30(2)22-26-35)46-39-18-10-16-33-15-9-17-38(40(33)39)45(41)46/h3-28H,1-2H3
InChIKeyJEDBVWAPBYEGRE-UHFFFAOYSA-N
MW584.76 g/mol
LogP12.93
Rot. Bonds4

About 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene

7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene (PubChem CID 158890209) has the molecular formula C46H32 and a molecular weight of 584.76 g/mol. Its IUPAC name is 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
PubChem CID158890209
Molecular FormulaC46H32
Molecular Weight584.76 g/mol
Exact Mass584.25
IUPAC Name7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
SMILESCc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4c(-c5ccccc5)ccc(-c5ccccc5)c24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C46H32/c1-29-19-23-34(24-20-29)41-43-36(31-11-5-3-6-12-31)27-28-37(32-13-7-4-8-14-32)44(43)42(35-25-21-30(2)22-26-35)46-39-18-10-16-33-15-9-17-38(40(33)39)45(41)46/h3-28H,1-2H3
InChIKeyJEDBVWAPBYEGRE-UHFFFAOYSA-N
XLogP12.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
fluoranthene;toluene
CID 173324369
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
3,5,8,10,17,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722791
7,10-dimethyl-8-(4-methylphenyl)fluoranthene
CID 12713914
ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene?
The IUPAC name of 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene (CID 158890209) is 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene is Cc1ccc(-c2c3c(c(-c4ccc(C)cc4)c4c(-c5ccccc5)ccc(-c5ccccc5)c24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene?
The InChIKey is JEDBVWAPBYEGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32/c1-29-19-23-34(24-20-29)41-43-36(31-11-5-3-6-12-31)27-28-37(32-13-7-4-8-14-32)44(43)42(35-25-21-30(2)22-26-35)46-39-18-10-16-33-15-9-17-38(40(33)39)45(41)46/h3-28H,1-2H3.
What are the key properties of 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene?
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene has a molecular weight of 584.76 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 158890209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).