9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine

C57H42N2 — CID 167255297

IUPAC9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-14-12-22-48(52)50-36-35-47(56(55(50)57)58(44-20-10-5-11-21-44)45-31-26-41(27-32-45)39-16-6-3-7-17-39)43-30-37-54-51(38-43)49-23-13-15-25-53(49)59(54)46-33-28-42(29-34-46)40-18-8-4-9-19-40/h3-38H,1-2H3
InChIKeyPOAJRGWKQFWIII-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine (PubChem CID 167255297) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
PubChem CID167255297
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-14-12-22-48(52)50-36-35-47(56(55(50)57)58(44-20-10-5-11-21-44)45-31-26-41(27-32-45)39-16-6-3-7-17-39)43-30-37-54-51(38-43)49-23-13-15-25-53(49)59(54)46-33-28-42(29-34-46)40-18-8-4-9-19-40/h3-38H,1-2H3
InChIKeyPOAJRGWKQFWIII-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine
CID 167255362
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 159845572
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
4-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 159379857
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197133
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine (CID 167255297) is 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine?
The InChIKey is POAJRGWKQFWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-24-14-12-22-48(52)50-36-35-47(56(55(50)57)58(44-20-10-5-11-21-44)45-31-26-41(27-32-45)39-16-6-3-7-17-39)43-30-37-54-51(38-43)49-23-13-15-25-53(49)59(54)46-33-28-42(29-34-46)40-18-8-4-9-19-40/h3-38H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine?
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine has a molecular weight of 754.98 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine is sourced from PubChem (CID 167255297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).