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

C117H73N9 — CID 134236623

IUPAC9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C117H73N9/c1-7-27-74(28-8-1)76-47-56-93(94(65-76)75-29-9-2-10-30-75)115-118-116(125-111-61-52-81(77-48-57-107-95(66-77)89-39-19-23-43-103(89)121(107)85-31-11-3-12-32-85)70-99(111)100-71-82(53-62-112(100)125)78-49-58-108-96(67-78)90-40-20-24-44-104(90)122(108)86-33-13-4-14-34-86)120-117(119-115)126-113-63-54-83(79-50-59-109-97(68-79)91-41-21-25-45-105(91)123(109)87-35-15-5-16-36-87)72-101(113)102-73-84(55-64-114(102)126)80-51-60-110-98(69-80)92-42-22-26-46-106(92)124(110)88-37-17-6-18-38-88/h1-73H
InChIKeyJYFIYTRHUFLUED-UHFFFAOYSA-N
MW1604.93 g/mol
LogP30.12
Rot. Bonds13

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

9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134236623) has the molecular formula C117H73N9 and a molecular weight of 1604.93 g/mol. Its IUPAC name is 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID134236623
Molecular FormulaC117H73N9
Molecular Weight1604.93 g/mol
Exact Mass1603.60
IUPAC Name9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C117H73N9/c1-7-27-74(28-8-1)76-47-56-93(94(65-76)75-29-9-2-10-30-75)115-118-116(125-111-61-52-81(77-48-57-107-95(66-77)89-39-19-23-43-103(89)121(107)85-31-11-3-12-32-85)70-99(111)100-71-82(53-62-112(100)125)78-49-58-108-96(67-78)90-40-20-24-44-104(90)122(108)86-33-13-4-14-34-86)120-117(119-115)126-113-63-54-83(79-50-59-109-97(68-79)91-41-21-25-45-105(91)123(109)87-35-15-5-16-36-87)72-101(113)102-73-84(55-64-114(102)126)80-51-60-110-98(69-80)92-42-22-26-46-106(92)124(110)88-37-17-6-18-38-88/h1-73H
InChIKeyJYFIYTRHUFLUED-UHFFFAOYSA-N
XLogP30.12
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001604.93
LogP ≤ 530.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
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-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 134236623) is 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is JYFIYTRHUFLUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H73N9/c1-7-27-74(28-8-1)76-47-56-93(94(65-76)75-29-9-2-10-30-75)115-118-116(125-111-61-52-81(77-48-57-107-95(66-77)89-39-19-23-43-103(89)121(107)85-31-11-3-12-32-85)70-99(111)100-71-82(53-62-112(100)125)78-49-58-108-96(67-78)90-40-20-24-44-104(90)122(108)86-33-13-4-14-34-86)120-117(119-115)126-113-63-54-83(79-50-59-109-97(68-79)91-41-21-25-45-105(91)123(109)87-35-15-5-16-36-87)72-101(113)102-73-84(55-64-114(102)126)80-51-60-110-98(69-80)92-42-22-26-46-106(92)124(110)88-37-17-6-18-38-88/h1-73H.
What are the key properties of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1604.93 g/mol, XLogP of 30.12, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134236623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).