N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine

C53H47N — CID 170445039

IUPACN-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C53H47N/c1-51(2)28-29-52(3,4)49-30-34(24-27-47(49)51)43-32-45-42-22-14-15-23-46(42)53(5,6)48(45)33-50(43)54(35-16-8-7-9-17-35)36-25-26-41-39-20-11-10-18-37(39)38-19-12-13-21-40(38)44(41)31-36/h7-27,30-33H,28-29H2,1-6H3
InChIKeyCLDVFHSZMPHNSA-UHFFFAOYSA-N
MW697.97 g/mol
LogP14.94
Rot. Bonds4

About N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine

N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine (PubChem CID 170445039) has the molecular formula C53H47N and a molecular weight of 697.97 g/mol. Its IUPAC name is N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
PubChem CID170445039
Molecular FormulaC53H47N
Molecular Weight697.97 g/mol
Exact Mass697.37
IUPAC NameN-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C53H47N/c1-51(2)28-29-52(3,4)49-30-34(24-27-47(49)51)43-32-45-42-22-14-15-23-46(42)53(5,6)48(45)33-50(43)54(35-16-8-7-9-17-35)36-25-26-41-39-20-11-10-18-37(39)38-19-12-13-21-40(38)44(41)31-36/h7-27,30-33H,28-29H2,1-6H3
InChIKeyCLDVFHSZMPHNSA-UHFFFAOYSA-N
XLogP14.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.97
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445292
N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 178165806
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine
CID 170445122
9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445739
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445450
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446175
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445740
9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(5,5,8,8-tetramethyl-2-propan-2-yl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446406

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine?
The IUPAC name of N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine (CID 170445039) is N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine.
What is the SMILES notation for N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine?
The canonical SMILES for N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine?
The InChIKey is CLDVFHSZMPHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47N/c1-51(2)28-29-52(3,4)49-30-34(24-27-47(49)51)43-32-45-42-22-14-15-23-46(42)53(5,6)48(45)33-50(43)54(35-16-8-7-9-17-35)36-25-26-41-39-20-11-10-18-37(39)38-19-12-13-21-40(38)44(41)31-36/h7-27,30-33H,28-29H2,1-6H3.
What are the key properties of N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine?
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine has a molecular weight of 697.97 g/mol, XLogP of 14.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine is sourced from PubChem (CID 170445039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).