3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C157H87N11S6 — CID 126651935

IUPAC3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccc(-c7cccc8sc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)nc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)n%10)ccc9c78)cc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C157H87N11S6/c1-11-36-127-104(25-1)120-74-88(94-47-60-114-110-31-7-17-42-139(110)169-145(114)81-94)53-66-133(120)163(127)102-24-21-23-101(73-102)154-160-156(167-131-40-15-5-29-108(131)124-78-92(57-70-137(124)167)97-50-63-117-113-34-10-20-45-142(113)172-148(117)84-97)162-157(161-154)168-132-41-16-6-30-109(132)125-79-93(58-71-138(125)168)98-51-64-118-126-80-100(59-72-143(126)173-149(118)85-98)103-35-22-46-144-153(103)119-65-52-99(86-150(119)174-144)90-55-68-135-122(76-90)106-27-3-13-38-129(106)165(135)152-87-151(164-128-37-12-2-26-105(128)121-75-89(54-67-134(121)164)95-48-61-115-111-32-8-18-43-140(111)170-146(115)82-95)158-155(159-152)166-130-39-14-4-28-107(130)123-77-91(56-69-136(123)166)96-49-62-116-112-33-9-19-44-141(112)171-147(116)83-96/h1-87H
InChIKeyCHVKHPMLNBLQPZ-UHFFFAOYSA-N
MW2319.90 g/mol
LogP44.79
Rot. Bonds14

About 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 126651935) has the molecular formula C157H87N11S6 and a molecular weight of 2319.90 g/mol. Its IUPAC name is 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID126651935
Molecular FormulaC157H87N11S6
Molecular Weight2319.90 g/mol
Exact Mass2317.55
IUPAC Name3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccc(-c7cccc8sc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)nc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)n%10)ccc9c78)cc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C157H87N11S6/c1-11-36-127-104(25-1)120-74-88(94-47-60-114-110-31-7-17-42-139(110)169-145(114)81-94)53-66-133(120)163(127)102-24-21-23-101(73-102)154-160-156(167-131-40-15-5-29-108(131)124-78-92(57-70-137(124)167)97-50-63-117-113-34-10-20-45-142(113)172-148(117)84-97)162-157(161-154)168-132-41-16-6-30-109(132)125-79-93(58-71-138(125)168)98-51-64-118-126-80-100(59-72-143(126)173-149(118)85-98)103-35-22-46-144-153(103)119-65-52-99(86-150(119)174-144)90-55-68-135-122(76-90)106-27-3-13-38-129(106)165(135)152-87-151(164-128-37-12-2-26-105(128)121-75-89(54-67-134(121)164)95-48-61-115-111-32-8-18-43-140(111)170-146(115)82-95)158-155(159-152)166-130-39-14-4-28-107(130)123-77-91(56-69-136(123)166)96-49-62-116-112-33-9-19-44-141(112)171-147(116)83-96/h1-87H
InChIKeyCHVKHPMLNBLQPZ-UHFFFAOYSA-N
XLogP44.79
TPSA94.03 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.90
LogP ≤ 544.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 126651935) is 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccccc56)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)sc5ccc(-c7cccc8sc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)nc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)ccc%12%11)n%10)ccc9c78)cc56)ccc43)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1.
What is the InChIKey of 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CHVKHPMLNBLQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C157H87N11S6/c1-11-36-127-104(25-1)120-74-88(94-47-60-114-110-31-7-17-42-139(110)169-145(114)81-94)53-66-133(120)163(127)102-24-21-23-101(73-102)154-160-156(167-131-40-15-5-29-108(131)124-78-92(57-70-137(124)167)97-50-63-117-113-34-10-20-45-142(113)172-148(117)84-97)162-157(161-154)168-132-41-16-6-30-109(132)125-79-93(58-71-138(125)168)98-51-64-118-126-80-100(59-72-143(126)173-149(118)85-98)103-35-22-46-144-153(103)119-65-52-99(86-150(119)174-144)90-55-68-135-122(76-90)106-27-3-13-38-129(106)165(135)152-87-151(164-128-37-12-2-26-105(128)121-75-89(54-67-134(121)164)95-48-61-115-111-32-8-18-43-140(111)170-146(115)82-95)158-155(159-152)166-130-39-14-4-28-107(130)123-77-91(56-69-136(123)166)96-49-62-116-112-33-9-19-44-141(112)171-147(116)83-96/h1-87H.
What are the key properties of 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2319.90 g/mol, XLogP of 44.79, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[7-[9-[2,6-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]carbazol-3-yl]dibenzothiophen-1-yl]dibenzothiophen-3-yl]-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 126651935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).