4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene

C42H34 — CID 58986993

IUPAC4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21
InChIInChI=1S/C42H34/c1-41(2)35-19-9-7-15-33(35)39-30(17-11-21-37(39)41)28-25-23-27(24-26-28)29-13-5-6-14-31(29)32-18-12-22-38-40(32)34-16-8-10-20-36(34)42(38,3)4/h5-26H,1-4H3
InChIKeyOBPNJDBKCSCRTB-UHFFFAOYSA-N
MW538.73 g/mol
LogP11.30
Rot. Bonds3

About 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene

4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 58986993) has the molecular formula C42H34 and a molecular weight of 538.73 g/mol. Its IUPAC name is 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
PubChem CID58986993
Molecular FormulaC42H34
Molecular Weight538.73 g/mol
Exact Mass538.27
IUPAC Name4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21
InChIInChI=1S/C42H34/c1-41(2)35-19-9-7-15-33(35)39-30(17-11-21-37(39)41)28-25-23-27(24-26-28)29-13-5-6-14-31(29)32-18-12-22-38-40(32)34-16-8-10-20-36(34)42(38,3)4/h5-26H,1-4H3
InChIKeyOBPNJDBKCSCRTB-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168790921
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The IUPAC name of 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene (CID 58986993) is 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21.
What is the InChIKey of 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The InChIKey is OBPNJDBKCSCRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34/c1-41(2)35-19-9-7-15-33(35)39-30(17-11-21-37(39)41)28-25-23-27(24-26-28)29-13-5-6-14-31(29)32-18-12-22-38-40(32)34-16-8-10-20-36(34)42(38,3)4/h5-26H,1-4H3.
What are the key properties of 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene?
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene has a molecular weight of 538.73 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58986993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).