N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline

C84H54N4O2 — CID 58510588

IUPACN-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12
InChIInChI=1S/C84H54N4O2/c1-7-25-77-69(15-1)70-16-2-8-26-78(70)87(77)65-51-47-63(48-52-65)85(61-43-35-57(36-44-61)67-21-13-23-75-73-19-5-11-29-81(73)89-83(67)75)59-39-31-55(32-40-59)56-33-41-60(42-34-56)86(62-45-37-58(38-46-62)68-22-14-24-76-74-20-6-12-30-82(74)90-84(68)76)64-49-53-66(54-50-64)88-79-27-9-3-17-71(79)72-18-4-10-28-80(72)88/h1-54H
InChIKeyKSUMUZDJUQOGLW-UHFFFAOYSA-N
MW1151.38 g/mol
LogP23.62
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline (PubChem CID 58510588) has the molecular formula C84H54N4O2 and a molecular weight of 1151.38 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
PubChem CID58510588
Molecular FormulaC84H54N4O2
Molecular Weight1151.38 g/mol
Exact Mass1150.42
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12
InChIInChI=1S/C84H54N4O2/c1-7-25-77-69(15-1)70-16-2-8-26-78(70)87(77)65-51-47-63(48-52-65)85(61-43-35-57(36-44-61)67-21-13-23-75-73-19-5-11-29-81(73)89-83(67)75)59-39-31-55(32-40-59)56-33-41-60(42-34-56)86(62-45-37-58(38-46-62)68-22-14-24-76-74-20-6-12-30-82(74)90-84(68)76)64-49-53-66(54-50-64)88-79-27-9-3-17-71(79)72-18-4-10-28-80(72)88/h1-54H
InChIKeyKSUMUZDJUQOGLW-UHFFFAOYSA-N
XLogP23.62
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.38
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline (CID 58510588) is N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline is c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline?
The InChIKey is KSUMUZDJUQOGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4O2/c1-7-25-77-69(15-1)70-16-2-8-26-78(70)87(77)65-51-47-63(48-52-65)85(61-43-35-57(36-44-61)67-21-13-23-75-73-19-5-11-29-81(73)89-83(67)75)59-39-31-55(32-40-59)56-33-41-60(42-34-56)86(62-45-37-58(38-46-62)68-22-14-24-76-74-20-6-12-30-82(74)90-84(68)76)64-49-53-66(54-50-64)88-79-27-9-3-17-71(79)72-18-4-10-28-80(72)88/h1-54H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline has a molecular weight of 1151.38 g/mol, XLogP of 23.62, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 58510588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).