9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene

C31H28 — CID 102073577

IUPAC9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene
SMILESCC1(C)CC(C)(C2c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H28/c1-30(2)20-31(3,27-18-17-22(19-28(27)30)21-11-5-4-6-12-21)29-25-15-9-7-13-23(25)24-14-8-10-16-26(24)29/h4-19,29H,20H2,1-3H3
InChIKeyRIVJUVLACVXUOD-UHFFFAOYSA-N
MW400.57 g/mol
LogP8.11
Rot. Bonds2

About 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene

9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene (PubChem CID 102073577) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene.

Molecular Properties

Compound Name9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene
PubChem CID102073577
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene
SMILESCC1(C)CC(C)(C2c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H28/c1-30(2)20-31(3,27-18-17-22(19-28(27)30)21-11-5-4-6-12-21)29-25-15-9-7-13-23(25)24-14-8-10-16-26(24)29/h4-19,29H,20H2,1-3H3
InChIKeyRIVJUVLACVXUOD-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 167260382
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
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-6-phenyl-2,3-dihydrofluorene
CID 178165588
10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
CID 102159942
1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene
CID 178036929
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052

Frequently Asked Questions

What is the IUPAC name of 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene?
The IUPAC name of 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene (CID 102073577) is 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene.
What is the SMILES notation for 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene?
The canonical SMILES for 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene is CC1(C)CC(C)(C2c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene?
The InChIKey is RIVJUVLACVXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28/c1-30(2)20-31(3,27-18-17-22(19-28(27)30)21-11-5-4-6-12-21)29-25-15-9-7-13-23(25)24-14-8-10-16-26(24)29/h4-19,29H,20H2,1-3H3.
What are the key properties of 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene?
9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene has a molecular weight of 400.57 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene is sourced from PubChem (CID 102073577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).