N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

C51H43N — CID 170217209

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C51H43N/c1-50(2)44-26-11-7-22-39(44)42-24-17-25-43(49(42)50)41-23-10-14-29-48(41)52(47-28-13-9-20-37(47)35-18-5-3-6-19-35)36-30-31-40-38-21-8-12-27-45(38)51(46(40)34-36)32-15-4-16-33-51/h3,5-14,17-31,34H,4,15-16,32-33H2,1-2H3
InChIKeyIXNPMKBNDZCJDG-UHFFFAOYSA-N
MW669.91 g/mol
LogP14.03
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170217209) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
PubChem CID170217209
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C51H43N/c1-50(2)44-26-11-7-22-39(44)42-24-17-25-43(49(42)50)41-23-10-14-29-48(41)52(47-28-13-9-20-37(47)35-18-5-3-6-19-35)36-30-31-40-38-21-8-12-27-45(38)51(46(40)34-36)32-15-4-16-33-51/h3,5-14,17-31,34H,4,15-16,32-33H2,1-2H3
InChIKeyIXNPMKBNDZCJDG-UHFFFAOYSA-N
XLogP14.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217313
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216462
N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217046
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170217209) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3-c3ccccc3)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The InChIKey is IXNPMKBNDZCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-50(2)44-26-11-7-22-39(44)42-24-17-25-43(49(42)50)41-23-10-14-29-48(41)52(47-28-13-9-20-37(47)35-18-5-3-6-19-35)36-30-31-40-38-21-8-12-27-45(38)51(46(40)34-36)32-15-4-16-33-51/h3,5-14,17-31,34H,4,15-16,32-33H2,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 669.91 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).