N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine

C63H54N2 — CID 171735958

IUPACN,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)ccc21
InChIInChI=1S/C63H54N2/c1-61(2)41-42-62(3,4)60-44-54(38-40-58(60)61)65(50-25-15-8-16-26-50)52-35-31-46(32-36-52)45-29-33-51(34-30-45)64(49-23-13-7-14-24-49)53-37-39-56-55-27-17-18-28-57(55)63(59(56)43-53,47-19-9-5-10-20-47)48-21-11-6-12-22-48/h5-40,43-44H,41-42H2,1-4H3
InChIKeySVJVFXGEOIRBLF-UHFFFAOYSA-N
MW839.14 g/mol
LogP17.01
Rot. Bonds9

About N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 171735958) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
PubChem CID171735958
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC NameN,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)ccc21
InChIInChI=1S/C63H54N2/c1-61(2)41-42-62(3,4)60-44-54(38-40-58(60)61)65(50-25-15-8-16-26-50)52-35-31-46(32-36-52)45-29-33-51(34-30-45)64(49-23-13-7-14-24-49)53-37-39-56-55-27-17-18-28-57(55)63(59(56)43-53,47-19-9-5-10-20-47)48-21-11-6-12-22-48/h5-40,43-44H,41-42H2,1-4H3
InChIKeySVJVFXGEOIRBLF-UHFFFAOYSA-N
XLogP17.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
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
9,9-diphenyl-N-(4-phenylphenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447723
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170448043
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine
CID 158817105
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine (CID 171735958) is N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)ccc21.
What is the InChIKey of N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The InChIKey is SVJVFXGEOIRBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2/c1-61(2)41-42-62(3,4)60-44-54(38-40-58(60)61)65(50-25-15-8-16-26-50)52-35-31-46(32-36-52)45-29-33-51(34-30-45)64(49-23-13-7-14-24-49)53-37-39-56-55-27-17-18-28-57(55)63(59(56)43-53,47-19-9-5-10-20-47)48-21-11-6-12-22-48/h5-40,43-44H,41-42H2,1-4H3.
What are the key properties of N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine?
N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 839.14 g/mol, XLogP of 17.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 171735958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).