2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene

C36H32 — CID 159961045

IUPAC2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene
SMILESCc1ccc(-c2ccccc2)cc1Cc1cc2c(cc1C)C(C)(C)c1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C36H32/c1-24-18-19-28(26-12-7-5-8-13-26)21-29(24)22-30-23-32-34(20-25(30)2)36(3,4)33-17-11-16-31(35(32)33)27-14-9-6-10-15-27/h5-21,23H,22H2,1-4H3
InChIKeyONQGNQNYBSAFTI-UHFFFAOYSA-N
MW464.65 g/mol
LogP9.53
Rot. Bonds4

About 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene

2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene (PubChem CID 159961045) has the molecular formula C36H32 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene.

Molecular Properties

Compound Name2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene
PubChem CID159961045
Molecular FormulaC36H32
Molecular Weight464.65 g/mol
Exact Mass464.25
IUPAC Name2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene
SMILESCc1ccc(-c2ccccc2)cc1Cc1cc2c(cc1C)C(C)(C)c1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C36H32/c1-24-18-19-28(26-12-7-5-8-13-26)21-29(24)22-30-23-32-34(20-25(30)2)36(3,4)33-17-11-16-31(35(32)33)27-14-9-6-10-15-27/h5-21,23H,22H2,1-4H3
InChIKeyONQGNQNYBSAFTI-UHFFFAOYSA-N
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529489
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
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
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
CID 166902423
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 176793784
10,10,14,14-tetramethyl-5-phenyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 170029769

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene?
The IUPAC name of 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene (CID 159961045) is 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene.
What is the SMILES notation for 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene?
The canonical SMILES for 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene is Cc1ccc(-c2ccccc2)cc1Cc1cc2c(cc1C)C(C)(C)c1cccc(-c3ccccc3)c1-2.
What is the InChIKey of 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene?
The InChIKey is ONQGNQNYBSAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32/c1-24-18-19-28(26-12-7-5-8-13-26)21-29(24)22-30-23-32-34(20-25(30)2)36(3,4)33-17-11-16-31(35(32)33)27-14-9-6-10-15-27/h5-21,23H,22H2,1-4H3.
What are the key properties of 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene?
2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene has a molecular weight of 464.65 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene is sourced from PubChem (CID 159961045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).