9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine

C62H49N — CID 176987264

IUPAC9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1CC=Cc2cc(-c3ccccc3-c3cccc(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C62H49N/c1-42-16-14-21-47-38-50(31-35-53(42)47)55-25-11-10-24-54(55)48-22-15-23-49(39-48)56-36-30-46(44-19-8-5-9-20-44)40-61(56)63(51-32-28-45(29-33-51)43-17-6-4-7-18-43)52-34-37-58-57-26-12-13-27-59(57)62(2,3)60(58)41-52/h4-15,17-42H,16H2,1-3H3
InChIKeyKPNCTFMEUGVLMS-UHFFFAOYSA-N
MW808.08 g/mol
LogP17.32
Rot. Bonds8

About 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176987264) has the molecular formula C62H49N and a molecular weight of 808.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID176987264
Molecular FormulaC62H49N
Molecular Weight808.08 g/mol
Exact Mass807.39
IUPAC Name9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1CC=Cc2cc(-c3ccccc3-c3cccc(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C62H49N/c1-42-16-14-21-47-38-50(31-35-53(42)47)55-25-11-10-24-54(55)48-22-15-23-49(39-48)56-36-30-46(44-19-8-5-9-20-44)40-61(56)63(51-32-28-45(29-33-51)43-17-6-4-7-18-43)52-34-37-58-57-26-12-13-27-59(57)62(2,3)60(58)41-52/h4-15,17-42H,16H2,1-3H3
InChIKeyKPNCTFMEUGVLMS-UHFFFAOYSA-N
XLogP17.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 176987264) is 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1CC=Cc2cc(-c3ccccc3-c3cccc(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KPNCTFMEUGVLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N/c1-42-16-14-21-47-38-50(31-35-53(42)47)55-25-11-10-24-54(55)48-22-15-23-49(39-48)56-36-30-46(44-19-8-5-9-20-44)40-61(56)63(51-32-28-45(29-33-51)43-17-6-4-7-18-43)52-34-37-58-57-26-12-13-27-59(57)62(2,3)60(58)41-52/h4-15,17-42H,16H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 808.08 g/mol, XLogP of 17.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176987264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).