9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene

C45H32 — CID 58569211

IUPAC9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C45H32/c1-45(2)43-27-31(21-23-40(43)41-24-22-34(28-44(41)45)36-20-10-13-29-11-3-5-16-35(29)36)30-14-9-15-32(25-30)42-26-33-12-4-6-17-37(33)38-18-7-8-19-39(38)42/h3-28H,1-2H3
InChIKeyDGJDFVJHIPKBAS-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene

9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene (PubChem CID 58569211) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
PubChem CID58569211
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C45H32/c1-45(2)43-27-31(21-23-40(43)41-24-22-34(28-44(41)45)36-20-10-13-29-11-3-5-16-35(29)36)30-14-9-15-32(25-30)42-26-33-12-4-6-17-37(33)38-18-7-8-19-39(38)42/h3-28H,1-2H3
InChIKeyDGJDFVJHIPKBAS-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene?
The IUPAC name of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene (CID 58569211) is 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene.
What is the SMILES notation for 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene?
The canonical SMILES for 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene is CC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene?
The InChIKey is DGJDFVJHIPKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)43-27-31(21-23-40(43)41-24-22-34(28-44(41)45)36-20-10-13-29-11-3-5-16-35(29)36)30-14-9-15-32(25-30)42-26-33-12-4-6-17-37(33)38-18-7-8-19-39(38)42/h3-28H,1-2H3.
What are the key properties of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene?
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene has a molecular weight of 572.75 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene is sourced from PubChem (CID 58569211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).