4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran

C37H23ClO — CID 164769007

IUPAC4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Cl)cc1C2(c1ccccc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C37H23ClO/c38-27-21-22-30-29-11-4-6-15-33(29)37(34(30)23-27,25-9-2-1-3-10-25)26-19-17-24(18-20-26)28-13-8-14-32-31-12-5-7-16-35(31)39-36(28)32/h1-23H/i4D,6D,11D,15D
InChIKeyWPNGNZIROKWXOY-FFDZZTBRSA-N
MW523.07 g/mol
LogP10.27
Rot. Bonds3

About 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran

4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran (PubChem CID 164769007) has the molecular formula C37H23ClO and a molecular weight of 523.07 g/mol. Its IUPAC name is 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran
PubChem CID164769007
Molecular FormulaC37H23ClO
Molecular Weight523.07 g/mol
Exact Mass522.17
IUPAC Name4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Cl)cc1C2(c1ccccc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C37H23ClO/c38-27-21-22-30-29-11-4-6-15-33(29)37(34(30)23-27,25-9-2-1-3-10-25)26-19-17-24(18-20-26)28-13-8-14-32-31-12-5-7-16-35(31)39-36(28)32/h1-23H/i4D,6D,11D,15D
InChIKeyWPNGNZIROKWXOY-FFDZZTBRSA-N
XLogP10.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.07
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
CID 171451031
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
4,4,5,5-tetramethyl-2-[6-[4-[1,2,3,4-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]phenyl]dibenzofuran-4-yl]-1,3,2-dioxaborolane
CID 164724664
buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The IUPAC name of 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran (CID 164769007) is 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Cl)cc1C2(c1ccccc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The InChIKey is WPNGNZIROKWXOY-FFDZZTBRSA-N. The full InChI is InChI=1S/C37H23ClO/c38-27-21-22-30-29-11-4-6-15-33(29)37(34(30)23-27,25-9-2-1-3-10-25)26-19-17-24(18-20-26)28-13-8-14-32-31-12-5-7-16-35(31)39-36(28)32/h1-23H/i4D,6D,11D,15D.
What are the key properties of 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran?
4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran has a molecular weight of 523.07 g/mol, XLogP of 10.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloro-1,2,3,4-tetradeuterio-9-phenylfluoren-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 164769007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).