3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole

C111H65N13O2 — CID 155077383

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccncc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ncc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13oc%14cccc(-c%15ccc%16c(c%15)c%15ncccc%15n%16-c%15ccccc%15)c%14c%13c%12)ccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C111H65N13O2/c1-7-22-66(23-8-1)106-115-107(67-24-9-2-10-25-67)118-110(117-106)123-90-46-39-70(72-44-51-98-87(59-72)102-80(34-19-37-100(102)125-98)75-42-49-93-85(61-75)104-96(36-21-54-113-104)121(93)78-30-15-5-16-31-78)56-82(90)83-58-74(41-48-91(83)123)77-63-97-105(114-64-77)86-62-76(43-50-94(86)122(97)79-32-17-6-18-33-79)81-35-20-38-101-103(81)88-60-73(45-52-99(88)126-101)71-40-47-92-84(57-71)89-65-112-55-53-95(89)124(92)111-119-108(68-26-11-3-12-27-68)116-109(120-111)69-28-13-4-14-29-69/h1-65H
InChIKeyGOMKCUSBAFNSJE-UHFFFAOYSA-N
MW1612.83 g/mol
LogP27.43
Rot. Bonds13

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 155077383) has the molecular formula C111H65N13O2 and a molecular weight of 1612.83 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID155077383
Molecular FormulaC111H65N13O2
Molecular Weight1612.83 g/mol
Exact Mass1611.54
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccncc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ncc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13oc%14cccc(-c%15ccc%16c(c%15)c%15ncccc%15n%16-c%15ccccc%15)c%14c%13c%12)ccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C111H65N13O2/c1-7-22-66(23-8-1)106-115-107(67-24-9-2-10-25-67)118-110(117-106)123-90-46-39-70(72-44-51-98-87(59-72)102-80(34-19-37-100(102)125-98)75-42-49-93-85(61-75)104-96(36-21-54-113-104)121(93)78-30-15-5-16-31-78)56-82(90)83-58-74(41-48-91(83)123)77-63-97-105(114-64-77)86-62-76(43-50-94(86)122(97)79-32-17-6-18-33-79)81-35-20-38-101-103(81)88-60-73(45-52-99(88)126-101)71-40-47-92-84(57-71)89-65-112-55-53-95(89)124(92)111-119-108(68-26-11-3-12-27-68)116-109(120-111)69-28-13-4-14-29-69/h1-65H
InChIKeyGOMKCUSBAFNSJE-UHFFFAOYSA-N
XLogP27.43
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001612.83
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole (CID 155077383) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccncc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ncc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13oc%14cccc(-c%15ccc%16c(c%15)c%15ncccc%15n%16-c%15ccccc%15)c%14c%13c%12)ccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is GOMKCUSBAFNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H65N13O2/c1-7-22-66(23-8-1)106-115-107(67-24-9-2-10-25-67)118-110(117-106)123-90-46-39-70(72-44-51-98-87(59-72)102-80(34-19-37-100(102)125-98)75-42-49-93-85(61-75)104-96(36-21-54-113-104)121(93)78-30-15-5-16-31-78)56-82(90)83-58-74(41-48-91(83)123)77-63-97-105(114-64-77)86-62-76(43-50-94(86)122(97)79-32-17-6-18-33-79)81-35-20-38-101-103(81)88-60-73(45-52-99(88)126-101)71-40-47-92-84(57-71)89-65-112-55-53-95(89)124(92)111-119-108(68-26-11-3-12-27-68)116-109(120-111)69-28-13-4-14-29-69/h1-65H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 1612.83 g/mol, XLogP of 27.43, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]carbazol-3-yl]-8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indol-8-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 155077383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).