9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene

C45H38 — CID 59217030

IUPAC9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)CC(c3ccccc3)C4)ccc2-c2ccc(-c3ccc4c(c3)CC(c3ccccc3)C4)cc21
InChIInChI=1S/C45H38/c1-45(2)43-27-35(31-13-15-33-23-37(25-39(33)21-31)29-9-5-3-6-10-29)17-19-41(43)42-20-18-36(28-44(42)45)32-14-16-34-24-38(26-40(34)22-32)30-11-7-4-8-12-30/h3-22,27-28,37-38H,23-26H2,1-2H3
InChIKeyFQMCGKLKMXVHMN-UHFFFAOYSA-N
MW578.80 g/mol
LogP11.09
Rot. Bonds4

About 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene

9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene (PubChem CID 59217030) has the molecular formula C45H38 and a molecular weight of 578.80 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene
PubChem CID59217030
Molecular FormulaC45H38
Molecular Weight578.80 g/mol
Exact Mass578.30
IUPAC Name9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)CC(c3ccccc3)C4)ccc2-c2ccc(-c3ccc4c(c3)CC(c3ccccc3)C4)cc21
InChIInChI=1S/C45H38/c1-45(2)43-27-35(31-13-15-33-23-37(25-39(33)21-31)29-9-5-3-6-10-29)17-19-41(43)42-20-18-36(28-44(42)45)32-14-16-34-24-38(26-40(34)22-32)30-11-7-4-8-12-30/h3-22,27-28,37-38H,23-26H2,1-2H3
InChIKeyFQMCGKLKMXVHMN-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
(2R)-2,6-diphenyl-1,2,3,4-tetrahydronaphthalene
CID 95564671
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene?
The IUPAC name of 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene (CID 59217030) is 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene is CC1(C)c2cc(-c3ccc4c(c3)CC(c3ccccc3)C4)ccc2-c2ccc(-c3ccc4c(c3)CC(c3ccccc3)C4)cc21.
What is the InChIKey of 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene?
The InChIKey is FQMCGKLKMXVHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38/c1-45(2)43-27-35(31-13-15-33-23-37(25-39(33)21-31)29-9-5-3-6-10-29)17-19-41(43)42-20-18-36(28-44(42)45)32-14-16-34-24-38(26-40(34)22-32)30-11-7-4-8-12-30/h3-22,27-28,37-38H,23-26H2,1-2H3.
What are the key properties of 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene?
9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene has a molecular weight of 578.80 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-bis(2-phenyl-2,3-dihydro-1H-inden-5-yl)fluorene is sourced from PubChem (CID 59217030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).