9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene

C41H27Cl — CID 169292907

IUPAC9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene
SMILESClc1ccc(-c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C41H27Cl/c42-40-25-24-33(34-18-4-5-21-37(34)40)30-14-10-12-28(26-30)29-13-11-17-32(27-29)41(31-15-2-1-3-16-31)38-22-8-6-19-35(38)36-20-7-9-23-39(36)41/h1-27H
InChIKeyFZPMKNHMIHYLRO-UHFFFAOYSA-N
MW555.12 g/mol
LogP11.19
Rot. Bonds4

About 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene

9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene (PubChem CID 169292907) has the molecular formula C41H27Cl and a molecular weight of 555.12 g/mol. Its IUPAC name is 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene.

Molecular Properties

Compound Name9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene
PubChem CID169292907
Molecular FormulaC41H27Cl
Molecular Weight555.12 g/mol
Exact Mass554.18
IUPAC Name9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene
SMILESClc1ccc(-c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C41H27Cl/c42-40-25-24-33(34-18-4-5-21-37(34)40)30-14-10-12-28(26-30)29-13-11-17-32(27-29)41(31-15-2-1-3-16-31)38-22-8-6-19-35(38)36-20-7-9-23-39(36)41/h1-27H
InChIKeyFZPMKNHMIHYLRO-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.12
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene?
The IUPAC name of 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene (CID 169292907) is 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene.
What is the SMILES notation for 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene?
The canonical SMILES for 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene is Clc1ccc(-c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2ccccc12.
What is the InChIKey of 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene?
The InChIKey is FZPMKNHMIHYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27Cl/c42-40-25-24-33(34-18-4-5-21-37(34)40)30-14-10-12-28(26-30)29-13-11-17-32(27-29)41(31-15-2-1-3-16-31)38-22-8-6-19-35(38)36-20-7-9-23-39(36)41/h1-27H.
What are the key properties of 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene?
9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene has a molecular weight of 555.12 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene is sourced from PubChem (CID 169292907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).