9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene

C49H32 — CID 171447247

IUPAC9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C49H32/c1-2-14-33(15-3-1)41-23-12-24-42(36-27-28-40-38(31-36)30-35-17-6-7-18-39(35)40)48(41)49-45-21-10-8-19-43(45)47(44-20-9-11-22-46(44)49)37-26-25-32-13-4-5-16-34(32)29-37/h1-29,31H,30H2
InChIKeyHBVCWIUQZVNWHV-UHFFFAOYSA-N
MW620.80 g/mol
LogP13.39
Rot. Bonds4

About 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene

9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene (PubChem CID 171447247) has the molecular formula C49H32 and a molecular weight of 620.80 g/mol. Its IUPAC name is 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
PubChem CID171447247
Molecular FormulaC49H32
Molecular Weight620.80 g/mol
Exact Mass620.25
IUPAC Name9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C49H32/c1-2-14-33(15-3-1)41-23-12-24-42(36-27-28-40-38(31-36)30-35-17-6-7-18-39(35)40)48(41)49-45-21-10-8-19-43(45)47(44-20-9-11-22-46(44)49)37-26-25-32-13-4-5-16-34(32)29-37/h1-29,31H,30H2
InChIKeyHBVCWIUQZVNWHV-UHFFFAOYSA-N
XLogP13.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 513.39
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-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-naphthalen-2-yl-10-[3-(7-phenyl-9H-fluoren-2-yl)phenyl]anthracene
CID 59725438
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene
CID 58645140
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene (CID 171447247) is 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene is c1ccc(-c2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is HBVCWIUQZVNWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32/c1-2-14-33(15-3-1)41-23-12-24-42(36-27-28-40-38(31-36)30-35-17-6-7-18-39(35)40)48(41)49-45-21-10-8-19-43(45)47(44-20-9-11-22-46(44)49)37-26-25-32-13-4-5-16-34(32)29-37/h1-29,31H,30H2.
What are the key properties of 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene?
9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 620.80 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 171447247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).