N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline

C72H49N3 — CID 118289059

IUPACN-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C72H49N3/c1-6-20-50(21-7-1)58-45-59(51-22-8-2-9-23-51)47-64(46-58)73(60-24-10-3-11-25-60)63-38-34-52(35-39-63)55-42-56(53-36-40-71-67(48-53)65-30-16-18-32-69(65)74(71)61-26-12-4-13-27-61)44-57(43-55)54-37-41-72-68(49-54)66-31-17-19-33-70(66)75(72)62-28-14-5-15-29-62/h1-49H
InChIKeyOPZTZIHUNJQMBE-UHFFFAOYSA-N
MW956.21 g/mol
LogP19.69
Rot. Bonds10

About N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline

N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline (PubChem CID 118289059) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline.

Molecular Properties

Compound NameN-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
PubChem CID118289059
Molecular FormulaC72H49N3
Molecular Weight956.21 g/mol
Exact Mass955.39
IUPAC NameN-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C72H49N3/c1-6-20-50(21-7-1)58-45-59(51-22-8-2-9-23-51)47-64(46-58)73(60-24-10-3-11-25-60)63-38-34-52(35-39-63)55-42-56(53-36-40-71-67(48-53)65-30-16-18-32-69(65)74(71)61-26-12-4-13-27-61)44-57(43-55)54-37-41-72-68(49-54)66-31-17-19-33-70(66)75(72)62-28-14-5-15-29-62/h1-49H
InChIKeyOPZTZIHUNJQMBE-UHFFFAOYSA-N
XLogP19.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.21
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
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
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 163787508
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N,4-diphenyl-N-[4-[7-(9-phenylcarbazol-3-yl)pyren-2-yl]phenyl]aniline
CID 90164565

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline?
The IUPAC name of N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline (CID 118289059) is N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline.
What is the SMILES notation for N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline?
The canonical SMILES for N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline?
The InChIKey is OPZTZIHUNJQMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-6-20-50(21-7-1)58-45-59(51-22-8-2-9-23-51)47-64(46-58)73(60-24-10-3-11-25-60)63-38-34-52(35-39-63)55-42-56(53-36-40-71-67(48-53)65-30-16-18-32-69(65)74(71)61-26-12-4-13-27-61)44-57(43-55)54-37-41-72-68(49-54)66-31-17-19-33-70(66)75(72)62-28-14-5-15-29-62/h1-49H.
What are the key properties of N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline?
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline has a molecular weight of 956.21 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline is sourced from PubChem (CID 118289059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).