9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene

C51H36 — CID 58569124

IUPAC9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C51H36/c1-51(2)49-31-35(23-25-46(49)47-26-24-37(32-50(47)51)42-22-12-17-34-15-6-8-18-41(34)42)39-27-38(33-13-4-3-5-14-33)28-40(29-39)48-30-36-16-7-9-19-43(36)44-20-10-11-21-45(44)48/h3-32H,1-2H3
InChIKeyCSKZMJPVMFXBND-UHFFFAOYSA-N
MW648.85 g/mol
LogP14.12
Rot. Bonds4

About 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene

9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene (PubChem CID 58569124) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
PubChem CID58569124
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C51H36/c1-51(2)49-31-35(23-25-46(49)47-26-24-37(32-50(47)51)42-22-12-17-34-15-6-8-18-41(34)42)39-27-38(33-13-4-3-5-14-33)28-40(29-39)48-30-36-16-7-9-19-43(36)44-20-10-11-21-45(44)48/h3-32H,1-2H3
InChIKeyCSKZMJPVMFXBND-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 514.12
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)phenyl]phenanthrene
CID 58569211
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
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
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
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
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-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458
9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene?
The IUPAC name of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene (CID 58569124) is 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene.
What is the SMILES notation for 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene?
The canonical SMILES for 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene is CC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene?
The InChIKey is CSKZMJPVMFXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-51(2)49-31-35(23-25-46(49)47-26-24-37(32-50(47)51)42-22-12-17-34-15-6-8-18-41(34)42)39-27-38(33-13-4-3-5-14-33)28-40(29-39)48-30-36-16-7-9-19-43(36)44-20-10-11-21-45(44)48/h3-32H,1-2H3.
What are the key properties of 9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene?
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene has a molecular weight of 648.85 g/mol, XLogP of 14.12, 4 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)-5-phenylphenyl]phenanthrene is sourced from PubChem (CID 58569124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).