1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene

C32H16F10 — CID 102112734

IUPAC1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1-3
InChIInChI=1S/C32H16F10/c1-9-5-7-13-8-6-10(2)15-17-12(4)19(22-25(35)29(39)32(42)30(40)26(22)36)18(11(3)16(17)14(9)20(13)15)21-23(33)27(37)31(41)28(38)24(21)34/h5-8H,1-4H3
InChIKeyWENQJKRPRPLCMW-UHFFFAOYSA-N
MW590.46 g/mol
LogP10.45
Rot. Bonds2

About 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene

1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene (PubChem CID 102112734) has the molecular formula C32H16F10 and a molecular weight of 590.46 g/mol. Its IUPAC name is 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene.

Molecular Properties

Compound Name1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene
PubChem CID102112734
Molecular FormulaC32H16F10
Molecular Weight590.46 g/mol
Exact Mass590.11
IUPAC Name1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1-3
InChIInChI=1S/C32H16F10/c1-9-5-7-13-8-6-10(2)15-17-12(4)19(22-25(35)29(39)32(42)30(40)26(22)36)18(11(3)16(17)14(9)20(13)15)21-23(33)27(37)31(41)28(38)24(21)34/h5-8H,1-4H3
InChIKeyWENQJKRPRPLCMW-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.46
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201
7-Methylbenzo(a)pyrene
CID 44368
9,10-Diphenylanthracene
CID 15159
Rubrene
CID 68203

Frequently Asked Questions

What is the IUPAC name of 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene?
The IUPAC name of 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene (CID 102112734) is 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene.
What is the SMILES notation for 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene?
The canonical SMILES for 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene is Cc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1-3.
What is the InChIKey of 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene?
The InChIKey is WENQJKRPRPLCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F10/c1-9-5-7-13-8-6-10(2)15-17-12(4)19(22-25(35)29(39)32(42)30(40)26(22)36)18(11(3)16(17)14(9)20(13)15)21-23(33)27(37)31(41)28(38)24(21)34/h5-8H,1-4H3.
What are the key properties of 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene?
1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene has a molecular weight of 590.46 g/mol, XLogP of 10.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,10-tetramethyl-8,9-bis(2,3,4,5,6-pentafluorophenyl)fluoranthene is sourced from PubChem (CID 102112734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).