9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene

C55H38 — CID 58881017

IUPAC9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc21
InChIInChI=1S/C55H38/c1-55(2)53-33-37(35-15-11-17-39(29-35)51-31-41-13-3-5-19-43(41)45-21-7-9-23-47(45)51)25-27-49(53)50-28-26-38(34-54(50)55)36-16-12-18-40(30-36)52-32-42-14-4-6-20-44(42)46-22-8-10-24-48(46)52/h3-34H,1-2H3
InChIKeyCUAREYJTABJRNE-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.27
Rot. Bonds4

About 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene

9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene (PubChem CID 58881017) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
PubChem CID58881017
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
SMILESCC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc21
InChIInChI=1S/C55H38/c1-55(2)53-33-37(35-15-11-17-39(29-35)51-31-41-13-3-5-19-43(41)45-21-7-9-23-47(45)51)25-27-49(53)50-28-26-38(34-54(50)55)36-16-12-18-40(30-36)52-32-42-14-4-6-20-44(42)46-22-8-10-24-48(46)52/h3-34H,1-2H3
InChIKeyCUAREYJTABJRNE-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.27
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-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
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
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464

Frequently Asked Questions

What is the IUPAC name of 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene?
The IUPAC name of 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene (CID 58881017) is 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene.
What is the SMILES notation for 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene?
The canonical SMILES for 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene is CC1(C)c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc2-c2ccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc21.
What is the InChIKey of 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene?
The InChIKey is CUAREYJTABJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)53-33-37(35-15-11-17-39(29-35)51-31-41-13-3-5-19-43(41)45-21-7-9-23-47(45)51)25-27-49(53)50-28-26-38(34-54(50)55)36-16-12-18-40(30-36)52-32-42-14-4-6-20-44(42)46-22-8-10-24-48(46)52/h3-34H,1-2H3.
What are the key properties of 9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene?
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 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-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene is sourced from PubChem (CID 58881017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).