9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine

C59H51N — CID 177114050

IUPAC9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc32)cc1
InChIInChI=1S/C59H51N/c1-57(2,3)47-23-27-49(28-24-47)59(50-29-25-48(26-30-50)58(4,5)6)55-14-10-9-13-53(55)54-34-33-52(38-56(54)59)60-51-31-21-40(22-32-51)42-17-18-45-37-46(20-19-44(45)36-42)43-16-15-39-11-7-8-12-41(39)35-43/h7-38,60H,1-6H3
InChIKeyOTEAQZXXSIZCMU-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.03
Rot. Bonds6

About 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine

9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 177114050) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID177114050
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc32)cc1
InChIInChI=1S/C59H51N/c1-57(2,3)47-23-27-49(28-24-47)59(50-29-25-48(26-30-50)58(4,5)6)55-14-10-9-13-53(55)54-34-33-52(38-56(54)59)60-51-31-21-40(22-32-51)42-17-18-45-37-46(20-19-44(45)36-42)43-16-15-39-11-7-8-12-41(39)35-43/h7-38,60H,1-6H3
InChIKeyOTEAQZXXSIZCMU-UHFFFAOYSA-N
XLogP16.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161077645
N-(4-tert-butylphenyl)pyridin-2-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-methoxyphenyl)pyridin-2-amine;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-pyridin-2-ylpyridin-2-amine
CID 161255688
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-3-amine
CID 177113959
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 145077293
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59372431
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine (CID 177114050) is 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc32)cc1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is OTEAQZXXSIZCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-57(2,3)47-23-27-49(28-24-47)59(50-29-25-48(26-30-50)58(4,5)6)55-14-10-9-13-53(55)54-34-33-52(38-56(54)59)60-51-31-21-40(22-32-51)42-17-18-45-37-46(20-19-44(45)36-42)43-16-15-39-11-7-8-12-41(39)35-43/h7-38,60H,1-6H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 774.06 g/mol, XLogP of 16.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 177114050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).