3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole

C102H60N10O2 — CID 166836389

About 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole

3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 166836389) has the molecular formula C102H60N10O2 and a molecular weight of 1457.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 166836389
• Molecular Formula: C102H60N10O2
• Molecular Weight: 1457.67 g/mol
• Exact Mass: 1456.49
• IUPAC Name: 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4cc(-n5c7ccccc7c7c(-c8ccc9c%10cc%11oc%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12c%11cc%10n(-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)c9c8)cccc75)ccc46)c3)n2)cc1
• InChI: InChI=1S/C102H60N10O2/c1-5-24-61(25-6-1)97-103-98(62-26-7-2-8-27-62)106-101(105-97)66-32-21-34-68(52-66)111-86-43-19-15-38-75(86)80-57-82-77-50-48-71(56-92(77)114-95(82)60-91(80)111)110-87-44-20-16-39-79(87)96-72(40-23-45-88(96)110)65-46-49-76-81-59-94-83(78-51-47-70(55-93(78)113-94)109-84-41-17-13-36-73(84)74-37-14-18-42-85(74)109)58-90(81)112(89(76)54-65)69-35-22-33-67(53-69)102-107-99(63-28-9-3-10-29-63)104-100(108-102)64-30-11-4-12-31-64/h1-60H
• InChIKey: LXNGERARWDCRDX-UHFFFAOYSA-N
• XLogP: 25.91
• TPSA: 123.34 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.67
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole (CID 166836389) is 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4cc(-n5c7ccccc7c7c(-c8ccc9c%10cc%11oc%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12c%11cc%10n(-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)c9c8)cccc75)ccc46)c3)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is LXNGERARWDCRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N10O2/c1-5-24-61(25-6-1)97-103-98(62-26-7-2-8-27-62)106-101(105-97)66-32-21-34-68(52-66)111-86-43-19-15-38-75(86)80-57-82-77-50-48-71(56-92(77)114-95(82)60-91(80)111)110-87-44-20-16-39-79(87)96-72(40-23-45-88(96)110)65-46-49-76-81-59-94-83(78-51-47-70(55-93(78)113-94)109-84-41-17-13-36-73(84)74-37-14-18-42-85(74)109)58-90(81)112(89(76)54-65)69-35-22-33-67(53-69)102-107-99(63-28-9-3-10-29-63)104-100(108-102)64-30-11-4-12-31-64/h1-60H.

What are the key properties of 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole?

3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1457.67 g/mol, XLogP of 25.91, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 166836389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).