9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene

C63H58 — CID 160966642

IUPAC9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
SMILESCc1cc2ccccc2cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1
InChIInChI=1S/C27H22.3C12H12/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-18H,1-2H3;3*3-8H,1-2H3
InChIKeySXSCOTYOKCSBRO-UHFFFAOYSA-N
MW815.16 g/mol
LogP17.04
Rot. Bonds2

About 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene

9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene (PubChem CID 160966642) has the molecular formula C63H58 and a molecular weight of 815.16 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
PubChem CID160966642
Molecular FormulaC63H58
Molecular Weight815.16 g/mol
Exact Mass814.45
IUPAC Name9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
SMILESCc1cc2ccccc2cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1
InChIInChI=1S/C27H22.3C12H12/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-18H,1-2H3;3*3-8H,1-2H3
InChIKeySXSCOTYOKCSBRO-UHFFFAOYSA-N
XLogP17.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.16
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
CID 123544181
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methylphenyl)fluorene;9-butyl-9-propylfluorene;9,9-diethylfluorene;bis(9,9-dimethylfluorene);9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;nonakis(2-methylpropane);toluene;tris(triphenylene)
CID 157491370
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene (CID 160966642) is 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene.
What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene is Cc1cc2ccccc2cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1.
What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The InChIKey is SXSCOTYOKCSBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.3C12H12/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-18H,1-2H3;3*3-8H,1-2H3.
What are the key properties of 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene has a molecular weight of 815.16 g/mol, XLogP of 17.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene is sourced from PubChem (CID 160966642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).