5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine

C50H41N — CID 177077519

IUPAC5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine
SMILESCC(C)(C)C1C=CC2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C50H41N/c1-49(2,3)45-32-33-50(46-20-12-10-18-42(46)43-19-11-13-21-47(43)50)48-34-41(30-31-44(45)48)51(39-26-22-37(23-27-39)35-14-6-4-7-15-35)40-28-24-38(25-29-40)36-16-8-5-9-17-36/h4-34,45H,1-3H3
InChIKeyUJOXVMIMQGVQBH-UHFFFAOYSA-N
MW655.89 g/mol
LogP13.50
Rot. Bonds5

About 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine

5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine (PubChem CID 177077519) has the molecular formula C50H41N and a molecular weight of 655.89 g/mol. Its IUPAC name is 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine
PubChem CID177077519
Molecular FormulaC50H41N
Molecular Weight655.89 g/mol
Exact Mass655.32
IUPAC Name5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine
SMILESCC(C)(C)C1C=CC2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C50H41N/c1-49(2,3)45-32-33-50(46-20-12-10-18-42(46)43-19-11-13-21-47(43)50)48-34-41(30-31-44(45)48)51(39-26-22-37(23-27-39)35-14-6-4-7-15-35)40-28-24-38(25-29-40)36-16-8-5-9-17-36/h4-34,45H,1-3H3
InChIKeyUJOXVMIMQGVQBH-UHFFFAOYSA-N
XLogP13.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.89
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine
CID 118428468
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine?
The IUPAC name of 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine (CID 177077519) is 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine.
What is the SMILES notation for 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine?
The canonical SMILES for 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine is CC(C)(C)C1C=CC2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine?
The InChIKey is UJOXVMIMQGVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N/c1-49(2,3)45-32-33-50(46-20-12-10-18-42(46)43-19-11-13-21-47(43)50)48-34-41(30-31-44(45)48)51(39-26-22-37(23-27-39)35-14-6-4-7-15-35)40-28-24-38(25-29-40)36-16-8-5-9-17-36/h4-34,45H,1-3H3.
What are the key properties of 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine?
5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine has a molecular weight of 655.89 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-bis(4-phenylphenyl)spiro[5H-naphthalene-8,9'-fluorene]-2-amine is sourced from PubChem (CID 177077519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).