3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

C69H50N2 — CID 170666243

IUPAC3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c3-c3ccccc3)cccc21
InChIInChI=1S/C69H50N2/c1-69(2)62-39-17-15-34-61(62)67-59(36-21-40-63(67)69)58-37-22-42-65(66(58)49-27-11-5-12-28-49)70(55-45-51(47-23-7-3-8-24-47)43-52(46-55)48-25-9-4-10-26-48)54-32-19-29-50(44-54)56-35-20-38-60-57-33-16-18-41-64(57)71(68(56)60)53-30-13-6-14-31-53/h3-46H,1-2H3
InChIKeyUHFMSHWQNCQILA-UHFFFAOYSA-N
MW907.17 g/mol
LogP18.89
Rot. Bonds9

About 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170666243) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170666243
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c3-c3ccccc3)cccc21
InChIInChI=1S/C69H50N2/c1-69(2)62-39-17-15-34-61(62)67-59(36-21-40-63(67)69)58-37-22-42-65(66(58)49-27-11-5-12-28-49)70(55-45-51(47-23-7-3-8-24-47)43-52(46-55)48-25-9-4-10-26-48)54-32-19-29-50(44-54)56-35-20-38-60-57-33-16-18-41-64(57)71(68(56)60)53-30-13-6-14-31-53/h3-46H,1-2H3
InChIKeyUHFMSHWQNCQILA-UHFFFAOYSA-N
XLogP18.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665708
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502247
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170666243) is 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c3-c3ccccc3)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is UHFMSHWQNCQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-69(2)62-39-17-15-34-61(62)67-59(36-21-40-63(67)69)58-37-22-42-65(66(58)49-27-11-5-12-28-49)70(55-45-51(47-23-7-3-8-24-47)43-52(46-55)48-25-9-4-10-26-48)54-32-19-29-50(44-54)56-35-20-38-60-57-33-16-18-41-64(57)71(68(56)60)53-30-13-6-14-31-53/h3-46H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 907.17 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170666243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).