9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole

C295H181N23 — CID 158402871

IUPAC9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1
InChIInChI=1S/C148H91N11.C147H90N12/c1-7-31-104(32-8-1)151-128-49-25-19-43-110(128)116-67-55-98(85-140(116)151)92-61-73-134-122(79-92)123-80-93(99-56-68-117-111-44-20-26-50-129(111)152(141(117)86-99)105-33-9-2-10-34-105)62-74-135(123)157(134)146-91-147(158-136-75-63-94(100-57-69-118-112-45-21-27-51-130(112)153(142(118)87-100)106-35-11-3-12-36-106)81-124(136)125-82-95(64-76-137(125)158)101-58-70-119-113-46-22-28-52-131(113)154(143(119)88-101)107-37-13-4-14-38-107)150-148(149-146)159-138-77-65-96(102-59-71-120-114-47-23-29-53-132(114)155(144(120)89-102)108-39-15-5-16-40-108)83-126(138)127-84-97(66-78-139(127)159)103-60-72-121-115-48-24-30-54-133(115)156(145(121)90-103)109-41-17-6-18-42-109;1-7-31-103(32-8-1)151-127-49-25-19-43-109(127)115-67-55-97(85-139(115)151)91-61-73-133-121(79-91)122-80-92(98-56-68-116-110-44-20-26-50-128(110)152(140(116)86-98)104-33-9-2-10-34-104)62-74-134(122)157(133)145-148-146(158-135-75-63-93(99-57-69-117-111-45-21-27-51-129(111)153(141(117)87-99)105-35-11-3-12-36-105)81-123(135)124-82-94(64-76-136(124)158)100-58-70-118-112-46-22-28-52-130(112)154(142(118)88-100)106-37-13-4-14-38-106)150-147(149-145)159-137-77-65-95(101-59-71-119-113-47-23-29-53-131(113)155(143(119)89-101)107-39-15-5-16-40-107)83-125(137)126-84-96(66-78-138(126)159)102-60-72-120-114-48-24-30-54-132(114)156(144(120)90-102)108-41-17-6-18-42-108/h1-91H;1-90H
InChIKeyGYHWSDRFLOBEGR-UHFFFAOYSA-N
MW4047.85 g/mol
LogP76.10
Rot. Bonds30

About 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole

9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (PubChem CID 158402871) has the molecular formula C295H181N23 and a molecular weight of 4047.85 g/mol. Its IUPAC name is 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
PubChem CID158402871
Molecular FormulaC295H181N23
Molecular Weight4047.85 g/mol
Exact Mass4044.49
IUPAC Name9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1
InChIInChI=1S/C148H91N11.C147H90N12/c1-7-31-104(32-8-1)151-128-49-25-19-43-110(128)116-67-55-98(85-140(116)151)92-61-73-134-122(79-92)123-80-93(99-56-68-117-111-44-20-26-50-129(111)152(141(117)86-99)105-33-9-2-10-34-105)62-74-135(123)157(134)146-91-147(158-136-75-63-94(100-57-69-118-112-45-21-27-51-130(112)153(142(118)87-100)106-35-11-3-12-36-106)81-124(136)125-82-95(64-76-137(125)158)101-58-70-119-113-46-22-28-52-131(113)154(143(119)88-101)107-37-13-4-14-38-107)150-148(149-146)159-138-77-65-96(102-59-71-120-114-47-23-29-53-132(114)155(144(120)89-102)108-39-15-5-16-40-108)83-126(138)127-84-97(66-78-139(127)159)103-60-72-121-115-48-24-30-54-133(115)156(145(121)90-103)109-41-17-6-18-42-109;1-7-31-103(32-8-1)151-127-49-25-19-43-109(127)115-67-55-97(85-139(115)151)91-61-73-133-121(79-91)122-80-92(98-56-68-116-110-44-20-26-50-128(110)152(140(116)86-98)104-33-9-2-10-34-104)62-74-134(122)157(133)145-148-146(158-135-75-63-93(99-57-69-117-111-45-21-27-51-129(111)153(141(117)87-99)105-35-11-3-12-36-105)81-123(135)124-82-94(64-76-136(124)158)100-58-70-118-112-46-22-28-52-130(112)154(142(118)88-100)106-37-13-4-14-38-106)150-147(149-145)159-137-77-65-95(101-59-71-119-113-47-23-29-53-131(113)155(143(119)89-101)107-39-15-5-16-40-107)83-125(137)126-84-96(66-78-138(126)159)102-60-72-120-114-48-24-30-54-132(114)156(144(120)90-102)108-41-17-6-18-42-108/h1-91H;1-90H
InChIKeyGYHWSDRFLOBEGR-UHFFFAOYSA-N
XLogP76.10
TPSA153.19 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004047.85
LogP ≤ 576.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole with MolForge

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Related Compounds

3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236507
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-chloropyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632889
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020
3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (CID 158402871) is 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1.
What is the InChIKey of 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is GYHWSDRFLOBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H91N11.C147H90N12/c1-7-31-104(32-8-1)151-128-49-25-19-43-110(128)116-67-55-98(85-140(116)151)92-61-73-134-122(79-92)123-80-93(99-56-68-117-111-44-20-26-50-129(111)152(141(117)86-99)105-33-9-2-10-34-105)62-74-135(123)157(134)146-91-147(158-136-75-63-94(100-57-69-118-112-45-21-27-51-130(112)153(142(118)87-100)106-35-11-3-12-36-106)81-124(136)125-82-95(64-76-137(125)158)101-58-70-119-113-46-22-28-52-131(113)154(143(119)88-101)107-37-13-4-14-38-107)150-148(149-146)159-138-77-65-96(102-59-71-120-114-47-23-29-53-132(114)155(144(120)89-102)108-39-15-5-16-40-108)83-126(138)127-84-97(66-78-139(127)159)103-60-72-121-115-48-24-30-54-133(115)156(145(121)90-103)109-41-17-6-18-42-109;1-7-31-103(32-8-1)151-127-49-25-19-43-109(127)115-67-55-97(85-139(115)151)91-61-73-133-121(79-91)122-80-92(98-56-68-116-110-44-20-26-50-128(110)152(140(116)86-98)104-33-9-2-10-34-104)62-74-134(122)157(133)145-148-146(158-135-75-63-93(99-57-69-117-111-45-21-27-51-129(111)153(141(117)87-99)105-35-11-3-12-36-105)81-123(135)124-82-94(64-76-136(124)158)100-58-70-118-112-46-22-28-52-130(112)154(142(118)88-100)106-37-13-4-14-38-106)150-147(149-145)159-137-77-65-95(101-59-71-119-113-47-23-29-53-131(113)155(143(119)89-101)107-39-15-5-16-40-107)83-125(137)126-84-96(66-78-138(126)159)102-60-72-120-114-48-24-30-54-132(114)156(144(120)90-102)108-41-17-6-18-42-108/h1-91H;1-90H.
What are the key properties of 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 4047.85 g/mol, XLogP of 76.10, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 158402871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).