9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine

C77H60N2 — CID 144519798

IUPAC9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(C5=CC=CC(c6ccccc6)C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccccc3-c3ccccc3C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C77H60N2/c1-76(2)70-32-15-10-27-64(70)68-50-49-63(52-74(68)76)79(75-36-19-14-31-69(75)67-30-13-18-35-73(67)77(3)71-33-16-11-28-65(71)66-29-12-17-34-72(66)77)61-47-41-57(42-48-61)56-39-45-60(46-40-56)78(59-43-37-55(38-44-59)53-21-6-4-7-22-53)62-26-20-25-58(51-62)54-23-8-5-9-24-54/h4-50,52,58H,51H2,1-3H3
InChIKeyJHYPANDRUQGNPH-UHFFFAOYSA-N
MW1013.34 g/mol
LogP20.56
Rot. Bonds11

About 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 144519798) has the molecular formula C77H60N2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine
PubChem CID144519798
Molecular FormulaC77H60N2
Molecular Weight1013.34 g/mol
Exact Mass1012.48
IUPAC Name9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(C5=CC=CC(c6ccccc6)C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccccc3-c3ccccc3C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C77H60N2/c1-76(2)70-32-15-10-27-64(70)68-50-49-63(52-74(68)76)79(75-36-19-14-31-69(75)67-30-13-18-35-73(67)77(3)71-33-16-11-28-65(71)66-29-12-17-34-72(66)77)61-47-41-57(42-48-61)56-39-45-60(46-40-56)78(59-43-37-55(38-44-59)53-21-6-4-7-22-53)62-26-20-25-58(51-62)54-23-8-5-9-24-54/h4-50,52,58H,51H2,1-3H3
InChIKeyJHYPANDRUQGNPH-UHFFFAOYSA-N
XLogP20.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
[2-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid
CID 156900014
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine (CID 144519798) is 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(C5=CC=CC(c6ccccc6)C5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccccc3-c3ccccc3C3(C)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine?
The InChIKey is JHYPANDRUQGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N2/c1-76(2)70-32-15-10-27-64(70)68-50-49-63(52-74(68)76)79(75-36-19-14-31-69(75)67-30-13-18-35-73(67)77(3)71-33-16-11-28-65(71)66-29-12-17-34-72(66)77)61-47-41-57(42-48-61)56-39-45-60(46-40-56)78(59-43-37-55(38-44-59)53-21-6-4-7-22-53)62-26-20-25-58(51-62)54-23-8-5-9-24-54/h4-50,52,58H,51H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1013.34 g/mol, XLogP of 20.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 144519798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).