9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene

C45H32 — CID 58569156

IUPAC9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccccc5-c5cc6ccccc6c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C45H32/c1-45(2)43-18-10-9-17-40(43)41-24-23-32(28-44(41)45)30-19-20-31-26-34(22-21-29(31)25-30)36-13-5-6-15-38(36)42-27-33-11-3-4-12-35(33)37-14-7-8-16-39(37)42/h3-28H,1-2H3
InChIKeyUANBCVFEXDOFGT-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene

9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene (PubChem CID 58569156) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
PubChem CID58569156
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccccc5-c5cc6ccccc6c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C45H32/c1-45(2)43-18-10-9-17-40(43)41-24-23-32(28-44(41)45)30-19-20-31-26-34(22-21-29(31)25-30)36-13-5-6-15-38(36)42-27-33-11-3-4-12-35(33)37-14-7-8-16-39(37)42/h3-28H,1-2H3
InChIKeyUANBCVFEXDOFGT-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-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
CID 159222456

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The IUPAC name of 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene (CID 58569156) is 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene.
What is the SMILES notation for 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The canonical SMILES for 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccccc5-c5cc6ccccc6c6ccccc56)ccc4c3)cc21.
What is the InChIKey of 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The InChIKey is UANBCVFEXDOFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)43-18-10-9-17-40(43)41-24-23-32(28-44(41)45)30-19-20-31-26-34(22-21-29(31)25-30)36-13-5-6-15-38(36)42-27-33-11-3-4-12-35(33)37-14-7-8-16-39(37)42/h3-28H,1-2H3.
What are the key properties of 9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-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-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene is sourced from PubChem (CID 58569156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).