N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline

C73H50N2 — CID 118337172

IUPACN-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C73H50N2/c1-6-23-51(24-7-1)62-48-46-59(50-66(62)52-25-8-2-9-26-52)74(57-31-14-5-15-32-57)58-44-41-53(42-45-58)60-33-16-17-34-61(60)54-43-47-64-63-35-19-21-39-69(63)75(71(64)49-54)70-40-22-38-68-72(70)65-36-18-20-37-67(65)73(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H
InChIKeyFXQYLMIQXXRLOU-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.28
Rot. Bonds10

About N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline

N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (PubChem CID 118337172) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.

Molecular Properties

Compound NameN-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
PubChem CID118337172
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC NameN-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C73H50N2/c1-6-23-51(24-7-1)62-48-46-59(50-66(62)52-25-8-2-9-26-52)74(57-31-14-5-15-32-57)58-44-41-53(42-45-58)60-33-16-17-34-61(60)54-43-47-64-63-35-19-21-39-69(63)75(71(64)49-54)70-40-22-38-68-72(70)65-36-18-20-37-67(65)73(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H
InChIKeyFXQYLMIQXXRLOU-UHFFFAOYSA-N
XLogP19.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.22
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 118349360
N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118265653
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118349359
2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118265642
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337165
N-[3-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[3-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[3-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[3-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159417227
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174277156
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
N-(5-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine;N-(5-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine
CID 158224602

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The IUPAC name of N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (CID 118337172) is N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.
What is the SMILES notation for N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The canonical SMILES for N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The InChIKey is FXQYLMIQXXRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-6-23-51(24-7-1)62-48-46-59(50-66(62)52-25-8-2-9-26-52)74(57-31-14-5-15-32-57)58-44-41-53(42-45-58)60-33-16-17-34-61(60)54-43-47-64-63-35-19-21-39-69(63)75(71(64)49-54)70-40-22-38-68-72(70)65-36-18-20-37-67(65)73(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H.
What are the key properties of N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline has a molecular weight of 955.22 g/mol, XLogP of 19.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is sourced from PubChem (CID 118337172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).