9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole

C82H54N4 — CID 155097260

IUPAC9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3c2ccc2c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1
InChIInChI=1S/C82H54N4/c1-5-21-59(22-6-1)77-71-53-54-72-78(60-23-7-2-8-24-60)80(62-27-11-4-12-28-62)86(66-51-43-58(44-52-66)56-39-47-64(48-40-56)84-75-35-19-15-31-69(75)70-32-16-20-36-76(70)84)82(72)81(71)85(79(77)61-25-9-3-10-26-61)65-49-41-57(42-50-65)55-37-45-63(46-38-55)83-73-33-17-13-29-67(73)68-30-14-18-34-74(68)83/h1-54H
InChIKeyBOEJACPDMYOPPV-UHFFFAOYSA-N
MW1095.36 g/mol
LogP21.77
Rot. Bonds10

About 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole

9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole (PubChem CID 155097260) has the molecular formula C82H54N4 and a molecular weight of 1095.36 g/mol. Its IUPAC name is 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
PubChem CID155097260
Molecular FormulaC82H54N4
Molecular Weight1095.36 g/mol
Exact Mass1094.43
IUPAC Name9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3c2ccc2c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1
InChIInChI=1S/C82H54N4/c1-5-21-59(22-6-1)77-71-53-54-72-78(60-23-7-2-8-24-60)80(62-27-11-4-12-28-62)86(66-51-43-58(44-52-66)56-39-47-64(48-40-56)84-75-35-19-15-31-69(75)70-32-16-20-36-76(70)84)82(72)81(71)85(79(77)61-25-9-3-10-26-61)65-49-41-57(42-50-65)55-37-45-63(46-38-55)83-73-33-17-13-29-67(73)68-30-14-18-34-74(68)83/h1-54H
InChIKeyBOEJACPDMYOPPV-UHFFFAOYSA-N
XLogP21.77
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.36
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
CID 118315810
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
CID 118315838
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
CID 68817582
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole (CID 155097260) is 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole is c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3c2ccc2c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1.
What is the InChIKey of 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole?
The InChIKey is BOEJACPDMYOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54N4/c1-5-21-59(22-6-1)77-71-53-54-72-78(60-23-7-2-8-24-60)80(62-27-11-4-12-28-62)86(66-51-43-58(44-52-66)56-39-47-64(48-40-56)84-75-35-19-15-31-69(75)70-32-16-20-36-76(70)84)82(72)81(71)85(79(77)61-25-9-3-10-26-61)65-49-41-57(42-50-65)55-37-45-63(46-38-55)83-73-33-17-13-29-67(73)68-30-14-18-34-74(68)83/h1-54H.
What are the key properties of 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole?
9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole has a molecular weight of 1095.36 g/mol, XLogP of 21.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 155097260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).