N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline

C60H42N4 — CID 70659085

IUPACN,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H42N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-42H
InChIKeyILVOXYIIGGYMCI-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.49
Rot. Bonds9

About N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline

N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline (PubChem CID 70659085) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
PubChem CID70659085
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC NameN,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H42N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-42H
InChIKeyILVOXYIIGGYMCI-UHFFFAOYSA-N
XLogP16.49
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline (CID 70659085) is N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline?
The InChIKey is ILVOXYIIGGYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-42H.
What are the key properties of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline?
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline has a molecular weight of 819.02 g/mol, XLogP of 16.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline is sourced from PubChem (CID 70659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).