1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene

C44H30 — CID 150664526

IUPAC1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
SMILESc1ccc(-c2c3c(c(-c4cccc5c4Cc4ccccc4-5)c(-c4ccccc4)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C44H30/c1-4-15-29(16-5-1)40-41(30-17-6-2-7-18-30)43-35-24-13-11-22-33(35)28-39(43)44(42(40)31-19-8-3-9-20-31)37-26-14-25-36-34-23-12-10-21-32(34)27-38(36)37/h1-26H,27-28H2
InChIKeyJEOSBNICAWMLOQ-UHFFFAOYSA-N
MW558.72 g/mol
LogP11.50
Rot. Bonds4

About 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene

1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene (PubChem CID 150664526) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene.

Molecular Properties

Compound Name1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
PubChem CID150664526
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
SMILESc1ccc(-c2c3c(c(-c4cccc5c4Cc4ccccc4-5)c(-c4ccccc4)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C44H30/c1-4-15-29(16-5-1)40-41(30-17-6-2-7-18-30)43-35-24-13-11-22-33(35)28-39(43)44(42(40)31-19-8-3-9-20-31)37-26-14-25-36-34-23-12-10-21-32(34)27-38(36)37/h1-26H,27-28H2
InChIKeyJEOSBNICAWMLOQ-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
9H-fluoren-4-amine;1-phenyl-9H-fluorene
CID 175396170
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2-(9H-fluoren-1-yl)-3,4-dimethyl-1-phenyl-9H-carbazole
CID 175536427
bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane
CID 159127228
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene?
The IUPAC name of 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene (CID 150664526) is 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene.
What is the SMILES notation for 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene?
The canonical SMILES for 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene is c1ccc(-c2c3c(c(-c4cccc5c4Cc4ccccc4-5)c(-c4ccccc4)c2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene?
The InChIKey is JEOSBNICAWMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-15-29(16-5-1)40-41(30-17-6-2-7-18-30)43-35-24-13-11-22-33(35)28-39(43)44(42(40)31-19-8-3-9-20-31)37-26-14-25-36-34-23-12-10-21-32(34)27-38(36)37/h1-26H,27-28H2.
What are the key properties of 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene?
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene has a molecular weight of 558.72 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene is sourced from PubChem (CID 150664526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).