3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C129H76N12O2S — CID 163645754

IUPAC3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3)nc(-c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9c8sc8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc89)n7)c6)c5)ccc34)n2)cc1
InChIInChI=1S/C129H76N12O2S/c1-6-29-77(30-7-1)121-130-122(78-31-8-2-9-32-78)134-128(133-121)103-53-26-49-99-100-50-28-58-114(119(100)143-118(99)103)141-110-57-21-18-47-95(110)107-72-84(63-68-113(107)141)82-38-23-41-90(70-82)125-131-123(79-33-10-3-11-34-79)135-127(137-125)102-52-25-48-98-96-64-59-87(75-115(96)142-117(98)102)85-61-67-112-106(73-85)94-46-17-20-56-109(94)140(112)92-44-24-39-83(71-92)81-37-22-40-89(69-81)126-132-124(80-35-12-4-13-36-80)136-129(138-126)104-54-27-51-101-97-65-60-88(76-116(97)144-120(101)104)86-62-66-111-105(74-86)93-45-16-19-55-108(93)139(111)91-42-14-5-15-43-91/h1-76H
InChIKeyIIBNZLOCWRMILN-UHFFFAOYSA-N
MW1858.18 g/mol
LogP33.37
Rot. Bonds16

About 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 163645754) has the molecular formula C129H76N12O2S and a molecular weight of 1858.18 g/mol. Its IUPAC name is 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID163645754
Molecular FormulaC129H76N12O2S
Molecular Weight1858.18 g/mol
Exact Mass1856.59
IUPAC Name3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3)nc(-c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9c8sc8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc89)n7)c6)c5)ccc34)n2)cc1
InChIInChI=1S/C129H76N12O2S/c1-6-29-77(30-7-1)121-130-122(78-31-8-2-9-32-78)134-128(133-121)103-53-26-49-99-100-50-28-58-114(119(100)143-118(99)103)141-110-57-21-18-47-95(110)107-72-84(63-68-113(107)141)82-38-23-41-90(70-82)125-131-123(79-33-10-3-11-34-79)135-127(137-125)102-52-25-48-98-96-64-59-87(75-115(96)142-117(98)102)85-61-67-112-106(73-85)94-46-17-20-56-109(94)140(112)92-44-24-39-83(71-92)81-37-22-40-89(69-81)126-132-124(80-35-12-4-13-36-80)136-129(138-126)104-54-27-51-101-97-65-60-88(76-116(97)144-120(101)104)86-62-66-111-105(74-86)93-45-16-19-55-108(93)139(111)91-42-14-5-15-43-91/h1-76H
InChIKeyIIBNZLOCWRMILN-UHFFFAOYSA-N
XLogP33.37
TPSA157.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.18
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Related Compounds

2-([1]Benzothiolo[2,3-b]carbazol-7-yl)-4-[4-methyl-3-(2-phenoxyphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129234972
12-Phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223339
12-Phenyl-3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223477
12-Phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223487
12-Phenyl-3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223493
12-Phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223500
12-Phenyl-3-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223523
12-Phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223650
12-Phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-[14-phenyl-18-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[2,3-a]carbazole
CID 134223677
12-Phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223683
12-Phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
12-Phenyl-3-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223771

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 163645754) is 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3)nc(-c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9c8sc8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc89)n7)c6)c5)ccc34)n2)cc1.
What is the InChIKey of 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is IIBNZLOCWRMILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H76N12O2S/c1-6-29-77(30-7-1)121-130-122(78-31-8-2-9-32-78)134-128(133-121)103-53-26-49-99-100-50-28-58-114(119(100)143-118(99)103)141-110-57-21-18-47-95(110)107-72-84(63-68-113(107)141)82-38-23-41-90(70-82)125-131-123(79-33-10-3-11-34-79)135-127(137-125)102-52-25-48-98-96-64-59-87(75-115(96)142-117(98)102)85-61-67-112-106(73-85)94-46-17-20-56-109(94)140(112)92-44-24-39-83(71-92)81-37-22-40-89(69-81)126-132-124(80-35-12-4-13-36-80)136-129(138-126)104-54-27-51-101-97-65-60-88(76-116(97)144-120(101)104)86-62-66-111-105(74-86)93-45-16-19-55-108(93)139(111)91-42-14-5-15-43-91/h1-76H.
What are the key properties of 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 1858.18 g/mol, XLogP of 33.37, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-[3-[3-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163645754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).