3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene

C42H30 — CID 59728635

IUPAC3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
SMILESCc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1C
InChIInChI=1S/C42H30/c1-23-24(2)39(37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35)26(4)40(25(23)3)38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36/h5-22H,1-4H3
InChIKeyLMIMWXXFGIAVDP-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.86
Rot. Bonds2

About 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene

3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene (PubChem CID 59728635) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene.

Molecular Properties

Compound Name3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
PubChem CID59728635
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
SMILESCc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1C
InChIInChI=1S/C42H30/c1-23-24(2)39(37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35)26(4)40(25(23)3)38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36/h5-22H,1-4H3
InChIKeyLMIMWXXFGIAVDP-UHFFFAOYSA-N
XLogP11.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
CID 143240053
3-(3-methylphenyl)fluoranthene
CID 123478210
5,13-di(fluoranthen-3-yl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156188
3-(2-bromophenyl)fluoranthene
CID 58390376
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236099
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
3-propan-2-ylfluoranthene
CID 20607613
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
4-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzothiophene
CID 155475534
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene?
The IUPAC name of 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene (CID 59728635) is 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene.
What is the SMILES notation for 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene?
The canonical SMILES for 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene is Cc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1C.
What is the InChIKey of 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene?
The InChIKey is LMIMWXXFGIAVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-23-24(2)39(37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35)26(4)40(25(23)3)38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36/h5-22H,1-4H3.
What are the key properties of 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene?
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene has a molecular weight of 534.70 g/mol, XLogP of 11.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene is sourced from PubChem (CID 59728635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).