12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene

C43H44 — CID 163875744

IUPAC12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3
InChIInChI=1S/C43H44/c1-27-14-23-33-35-25-37-34(32-12-10-11-13-36(32)42(37,8)9)26-39(35)43(38(33)24-27,30-19-15-28(16-20-30)40(2,3)4)31-21-17-29(18-22-31)41(5,6)7/h10-26H,1-9H3
InChIKeyPORUFJUSQYSKML-UHFFFAOYSA-N
MW560.83 g/mol
LogP11.26
Rot. Bonds2

About 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene

12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene (PubChem CID 163875744) has the molecular formula C43H44 and a molecular weight of 560.83 g/mol. Its IUPAC name is 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
PubChem CID163875744
Molecular FormulaC43H44
Molecular Weight560.83 g/mol
Exact Mass560.34
IUPAC Name12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3
InChIInChI=1S/C43H44/c1-27-14-23-33-35-25-37-34(32-12-10-11-13-36(32)42(37,8)9)26-39(35)43(38(33)24-27,30-19-15-28(16-20-30)40(2,3)4)31-21-17-29(18-22-31)41(5,6)7/h10-26H,1-9H3
InChIKeyPORUFJUSQYSKML-UHFFFAOYSA-N
XLogP11.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.83
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
CID 58607554
CID 58607554
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 159463242
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060

Frequently Asked Questions

What is the IUPAC name of 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene?
The IUPAC name of 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene (CID 163875744) is 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene.
What is the SMILES notation for 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene?
The canonical SMILES for 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene is Cc1ccc2c(c1)C(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3.
What is the InChIKey of 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene?
The InChIKey is PORUFJUSQYSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44/c1-27-14-23-33-35-25-37-34(32-12-10-11-13-36(32)42(37,8)9)26-39(35)43(38(33)24-27,30-19-15-28(16-20-30)40(2,3)4)31-21-17-29(18-22-31)41(5,6)7/h10-26H,1-9H3.
What are the key properties of 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene?
12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene has a molecular weight of 560.83 g/mol, XLogP of 11.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene is sourced from PubChem (CID 163875744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).