10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene

C36H29Cl — CID 138461805

IUPAC10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
SMILESCC1(C)c2cc3c(cc2-c2c(Cl)cccc21)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3
InChIInChI=1S/C36H29Cl/c1-35(2)29-16-11-17-32(37)33(29)28-21-30-26(20-31(28)35)27-19-24(22-12-7-5-8-13-22)18-25(34(27)36(30,3)4)23-14-9-6-10-15-23/h5-21H,1-4H3
InChIKeyJYETVWKQOKXVSZ-UHFFFAOYSA-N
MW497.08 g/mol
LogP10.29
Rot. Bonds2

About 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene

10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene (PubChem CID 138461805) has the molecular formula C36H29Cl and a molecular weight of 497.08 g/mol. Its IUPAC name is 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
PubChem CID138461805
Molecular FormulaC36H29Cl
Molecular Weight497.08 g/mol
Exact Mass496.20
IUPAC Name10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
SMILESCC1(C)c2cc3c(cc2-c2c(Cl)cccc21)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3
InChIInChI=1S/C36H29Cl/c1-35(2)29-16-11-17-32(37)33(29)28-21-30-26(20-31(28)35)27-19-24(22-12-7-5-8-13-22)18-25(34(27)36(30,3)4)23-14-9-6-10-15-23/h5-21H,1-4H3
InChIKeyJYETVWKQOKXVSZ-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
CID 138455800
6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455880
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 138461848
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 174022173
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene?
The IUPAC name of 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene (CID 138461805) is 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene.
What is the SMILES notation for 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene?
The canonical SMILES for 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene is CC1(C)c2cc3c(cc2-c2c(Cl)cccc21)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3.
What is the InChIKey of 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene?
The InChIKey is JYETVWKQOKXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29Cl/c1-35(2)29-16-11-17-32(37)33(29)28-21-30-26(20-31(28)35)27-19-24(22-12-7-5-8-13-22)18-25(34(27)36(30,3)4)23-14-9-6-10-15-23/h5-21H,1-4H3.
What are the key properties of 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene?
10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene has a molecular weight of 497.08 g/mol, XLogP of 10.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene is sourced from PubChem (CID 138461805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).