N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline

C57H42N2 — CID 167527111

IUPACN-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-14-12-23-48(52)49-33-28-43(38-53(49)57)42-30-35-56-51(37-42)50-36-41(29-34-55(50)59(56)45-20-10-5-11-21-45)39-26-31-46(32-27-39)58(44-18-8-4-9-19-44)54-25-15-13-22-47(54)40-16-6-3-7-17-40/h3-38H,1-2H3
InChIKeyYVOLMCLGEPBADW-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline

N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline (PubChem CID 167527111) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
PubChem CID167527111
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H42N2/c1-57(2)52-24-14-12-23-48(52)49-33-28-43(38-53(49)57)42-30-35-56-51(37-42)50-36-41(29-34-55(50)59(56)45-20-10-5-11-21-45)39-26-31-46(32-27-39)58(44-18-8-4-9-19-44)54-25-15-13-22-47(54)40-16-6-3-7-17-40/h3-38H,1-2H3
InChIKeyYVOLMCLGEPBADW-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

N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
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
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-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 158211365

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline (CID 167527111) is N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline?
The InChIKey is YVOLMCLGEPBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)52-24-14-12-23-48(52)49-33-28-43(38-53(49)57)42-30-35-56-51(37-42)50-36-41(29-34-55(50)59(56)45-20-10-5-11-21-45)39-26-31-46(32-27-39)58(44-18-8-4-9-19-44)54-25-15-13-22-47(54)40-16-6-3-7-17-40/h3-38H,1-2H3.
What are the key properties of N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline?
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline 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 N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 167527111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).