4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

C62H41F6N3 — CID 130353117

IUPAC4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESFC(F)(F)c1cc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C62H41F6N3/c63-61(64,65)48-37-47(38-49(41-48)62(66,67)68)44-25-33-56(34-26-44)71-59-35-27-45(42-21-29-54(30-22-42)69(50-13-5-1-6-14-50)51-15-7-2-8-16-51)39-57(59)58-40-46(28-36-60(58)71)43-23-31-55(32-24-43)70(52-17-9-3-10-18-52)53-19-11-4-12-20-53/h1-41H
InChIKeyPFWUXZTYPXFIPZ-UHFFFAOYSA-N
MW942.02 g/mol
LogP18.76
Rot. Bonds10

About 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 130353117) has the molecular formula C62H41F6N3 and a molecular weight of 942.02 g/mol. Its IUPAC name is 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID130353117
Molecular FormulaC62H41F6N3
Molecular Weight942.02 g/mol
Exact Mass941.32
IUPAC Name4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESFC(F)(F)c1cc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C62H41F6N3/c63-61(64,65)48-37-47(38-49(41-48)62(66,67)68)44-25-33-56(34-26-44)71-59-35-27-45(42-21-29-54(30-22-42)69(50-13-5-1-6-14-50)51-15-7-2-8-16-51)39-57(59)58-40-46(28-36-60(58)71)43-23-31-55(32-24-43)70(52-17-9-3-10-18-52)53-19-11-4-12-20-53/h1-41H
InChIKeyPFWUXZTYPXFIPZ-UHFFFAOYSA-N
XLogP18.76
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.02
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 130353117) is 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is FC(F)(F)c1cc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is PFWUXZTYPXFIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41F6N3/c63-61(64,65)48-37-47(38-49(41-48)62(66,67)68)44-25-33-56(34-26-44)71-59-35-27-45(42-21-29-54(30-22-42)69(50-13-5-1-6-14-50)51-15-7-2-8-16-51)39-57(59)58-40-46(28-36-60(58)71)43-23-31-55(32-24-43)70(52-17-9-3-10-18-52)53-19-11-4-12-20-53/h1-41H.
What are the key properties of 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 942.02 g/mol, XLogP of 18.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 130353117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).