11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole

C114H68N10O2 — CID 166836362

IUPAC11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4cc(-n5c7ccccc7c7c(-c8ccc(-c9cccc%10c%11cc%12oc%13cc(-n%14c%15ccccc%15c%15c(-c%16ccccc%16)cccc%15%14)ccc%13c%12cc%11n(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11)c9%10)cc8)cccc75)ccc46)c3)n2)cc1
InChIInChI=1S/C114H68N10O2/c1-6-27-69(28-7-1)82-44-25-51-98-106(82)89-42-17-20-49-96(89)121(98)81-58-60-87-94-66-100-92(67-104(94)125-103(87)64-81)88-47-24-46-84(108(88)124(100)79-40-23-38-77(62-79)114-119-111(74-33-12-4-13-34-74)116-112(120-114)75-35-14-5-15-36-75)71-55-53-70(54-56-71)83-45-26-52-99-107(83)90-43-18-21-50-97(90)122(99)80-57-59-86-93-65-91-85-41-16-19-48-95(85)123(101(91)68-105(93)126-102(86)63-80)78-39-22-37-76(61-78)113-117-109(72-29-8-2-9-30-72)115-110(118-113)73-31-10-3-11-32-73/h1-68H
InChIKeyYGLZLFABUKAXBH-UHFFFAOYSA-N
MW1609.87 g/mol
LogP29.25
Rot. Bonds13

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 166836362) has the molecular formula C114H68N10O2 and a molecular weight of 1609.87 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID166836362
Molecular FormulaC114H68N10O2
Molecular Weight1609.87 g/mol
Exact Mass1608.55
IUPAC Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4cc(-n5c7ccccc7c7c(-c8ccc(-c9cccc%10c%11cc%12oc%13cc(-n%14c%15ccccc%15c%15c(-c%16ccccc%16)cccc%15%14)ccc%13c%12cc%11n(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11)c9%10)cc8)cccc75)ccc46)c3)n2)cc1
InChIInChI=1S/C114H68N10O2/c1-6-27-69(28-7-1)82-44-25-51-98-106(82)89-42-17-20-49-96(89)121(98)81-58-60-87-94-66-100-92(67-104(94)125-103(87)64-81)88-47-24-46-84(108(88)124(100)79-40-23-38-77(62-79)114-119-111(74-33-12-4-13-34-74)116-112(120-114)75-35-14-5-15-36-75)71-55-53-70(54-56-71)83-45-26-52-99-107(83)90-43-18-21-50-97(90)122(99)80-57-59-86-93-65-91-85-41-16-19-48-95(85)123(101(91)68-105(93)126-102(86)63-80)78-39-22-37-76(61-78)113-117-109(72-29-8-2-9-30-72)115-110(118-113)73-31-10-3-11-32-73/h1-68H
InChIKeyYGLZLFABUKAXBH-UHFFFAOYSA-N
XLogP29.25
TPSA123.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.87
LogP ≤ 529.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

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
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole
CID 163674877
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160560099
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole (CID 166836362) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4cc(-n5c7ccccc7c7c(-c8ccc(-c9cccc%10c%11cc%12oc%13cc(-n%14c%15ccccc%15c%15c(-c%16ccccc%16)cccc%15%14)ccc%13c%12cc%11n(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11)c9%10)cc8)cccc75)ccc46)c3)n2)cc1.
What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is YGLZLFABUKAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10O2/c1-6-27-69(28-7-1)82-44-25-51-98-106(82)89-42-17-20-49-96(89)121(98)81-58-60-87-94-66-100-92(67-104(94)125-103(87)64-81)88-47-24-46-84(108(88)124(100)79-40-23-38-77(62-79)114-119-111(74-33-12-4-13-34-74)116-112(120-114)75-35-14-5-15-36-75)71-55-53-70(54-56-71)83-45-26-52-99-107(83)90-43-18-21-50-97(90)122(99)80-57-59-86-93-65-91-85-41-16-19-48-95(85)123(101(91)68-105(93)126-102(86)63-80)78-39-22-37-76(61-78)113-117-109(72-29-8-2-9-30-72)115-110(118-113)73-31-10-3-11-32-73/h1-68H.
What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole?
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1609.87 g/mol, XLogP of 29.25, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[4-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]phenyl]-3-(4-phenylcarbazol-9-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 166836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).