1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene

C43H28 — CID 141372306

IUPAC1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
SMILESc1ccc(-c2cc3cc4ccccc4cc3c(-c3cccc4c3Cc3ccccc3-4)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C43H28/c1-2-12-29(13-3-1)39-27-33-24-30-15-4-5-16-31(30)25-40(33)43(42(39)37-22-10-18-28-14-6-8-19-34(28)37)38-23-11-21-36-35-20-9-7-17-32(35)26-41(36)38/h1-25,27H,26H2
InChIKeyCZWUPWUXCIPBOJ-UHFFFAOYSA-N
MW544.70 g/mol
LogP11.72
Rot. Bonds3

About 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene

1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene (PubChem CID 141372306) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene.

Molecular Properties

Compound Name1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
PubChem CID141372306
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
SMILESc1ccc(-c2cc3cc4ccccc4cc3c(-c3cccc4c3Cc3ccccc3-4)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C43H28/c1-2-12-29(13-3-1)39-27-33-24-30-15-4-5-16-31(30)25-40(33)43(42(39)37-22-10-18-28-14-6-8-19-34(28)37)38-23-11-21-36-35-20-9-7-17-32(35)26-41(36)38/h1-25,27H,26H2
InChIKeyCZWUPWUXCIPBOJ-UHFFFAOYSA-N
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2-(9H-fluoren-1-yl)anthracene
CID 151119003
3-naphthalen-1-yl-2-phenyl-9H-fluoren-1-amine
CID 175536333
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene?
The IUPAC name of 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene (CID 141372306) is 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene.
What is the SMILES notation for 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene?
The canonical SMILES for 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene is c1ccc(-c2cc3cc4ccccc4cc3c(-c3cccc4c3Cc3ccccc3-4)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene?
The InChIKey is CZWUPWUXCIPBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-2-12-29(13-3-1)39-27-33-24-30-15-4-5-16-31(30)25-40(33)43(42(39)37-22-10-18-28-14-6-8-19-34(28)37)38-23-11-21-36-35-20-9-7-17-32(35)26-41(36)38/h1-25,27H,26H2.
What are the key properties of 1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene?
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene has a molecular weight of 544.70 g/mol, XLogP of 11.72, 3 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-naphthalen-1-yl-3-phenylanthracene is sourced from PubChem (CID 141372306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).