3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole

C79H51N5 — CID 88866637

IUPAC3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C79H51N5/c1-6-18-52(19-7-1)56-32-40-72-65(46-56)67-49-59(35-43-73(67)82(72)63-37-30-55(31-38-63)79-80-71-28-16-17-29-78(71)84(79)62-26-14-5-15-27-62)60-36-44-76-68(50-60)66-47-57(53-20-8-2-9-21-53)34-42-75(66)83(76)64-39-45-77-70(51-64)69-48-58(54-22-10-3-11-23-54)33-41-74(69)81(77)61-24-12-4-13-25-61/h1-51H
InChIKeyGEFHCPCQCQCGBA-UHFFFAOYSA-N
MW1070.31 g/mol
LogP20.65
Rot. Bonds9

About 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole

3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole (PubChem CID 88866637) has the molecular formula C79H51N5 and a molecular weight of 1070.31 g/mol. Its IUPAC name is 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole
PubChem CID88866637
Molecular FormulaC79H51N5
Molecular Weight1070.31 g/mol
Exact Mass1069.41
IUPAC Name3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C79H51N5/c1-6-18-52(19-7-1)56-32-40-72-65(46-56)67-49-59(35-43-73(67)82(72)63-37-30-55(31-38-63)79-80-71-28-16-17-29-78(71)84(79)62-26-14-5-15-27-62)60-36-44-76-68(50-60)66-47-57(53-20-8-2-9-21-53)34-42-75(66)83(76)64-39-45-77-70(51-64)69-48-58(54-22-10-3-11-23-54)33-41-74(69)81(77)61-24-12-4-13-25-61/h1-51H
InChIKeyGEFHCPCQCQCGBA-UHFFFAOYSA-N
XLogP20.65
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.31
LogP ≤ 520.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole (CID 88866637) is 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole?
The InChIKey is GEFHCPCQCQCGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N5/c1-6-18-52(19-7-1)56-32-40-72-65(46-56)67-49-59(35-43-73(67)82(72)63-37-30-55(31-38-63)79-80-71-28-16-17-29-78(71)84(79)62-26-14-5-15-27-62)60-36-44-76-68(50-60)66-47-57(53-20-8-2-9-21-53)34-42-75(66)83(76)64-39-45-77-70(51-64)69-48-58(54-22-10-3-11-23-54)33-41-74(69)81(77)61-24-12-4-13-25-61/h1-51H.
What are the key properties of 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole?
3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole has a molecular weight of 1070.31 g/mol, XLogP of 20.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 88866637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).