9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

C242H152N16 — CID 159652525

IUPAC9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)nc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C124H78N8.C118H74N8/c1-7-28-79(29-8-1)81-50-59-96(105(69-81)80-30-9-2-10-31-80)111-78-110(125-124(126-111)132-122-76-88(84-57-66-118-108(72-84)99-44-21-25-48-114(99)129(118)93-37-15-5-16-38-93)53-62-103(122)104-63-54-89(77-123(104)132)85-58-67-119-109(73-85)100-45-22-26-49-115(100)130(119)94-39-17-6-18-40-94)90-32-27-41-95(68-90)131-120-74-86(82-55-64-116-106(70-82)97-42-19-23-46-112(97)127(116)91-33-11-3-12-34-91)51-60-101(120)102-61-52-87(75-121(102)131)83-56-65-117-107(71-83)98-43-20-24-47-113(98)128(117)92-35-13-4-14-36-92;1-6-27-75(28-7-1)90-39-16-17-40-91(90)105-74-104(119-118(120-105)126-116-72-82(78-55-63-112-102(68-78)94-43-20-24-47-108(94)123(112)87-34-12-4-13-35-87)51-59-98(116)99-60-52-83(73-117(99)126)79-56-64-113-103(69-79)95-44-21-25-48-109(95)124(113)88-36-14-5-15-37-88)84-29-26-38-89(65-84)125-114-70-80(76-53-61-110-100(66-76)92-41-18-22-45-106(92)121(110)85-30-8-2-9-31-85)49-57-96(114)97-58-50-81(71-115(97)125)77-54-62-111-101(67-77)93-42-19-23-46-107(93)122(111)86-32-10-3-11-33-86/h1-78H;1-74H
InChIKeyMRTHHYMJQHPCMZ-UHFFFAOYSA-N
MW3283.99 g/mol
LogP63.12
Rot. Bonds27

About 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 159652525) has the molecular formula C242H152N16 and a molecular weight of 3283.99 g/mol. Its IUPAC name is 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID159652525
Molecular FormulaC242H152N16
Molecular Weight3283.99 g/mol
Exact Mass3281.24
IUPAC Name9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)nc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C124H78N8.C118H74N8/c1-7-28-79(29-8-1)81-50-59-96(105(69-81)80-30-9-2-10-31-80)111-78-110(125-124(126-111)132-122-76-88(84-57-66-118-108(72-84)99-44-21-25-48-114(99)129(118)93-37-15-5-16-38-93)53-62-103(122)104-63-54-89(77-123(104)132)85-58-67-119-109(73-85)100-45-22-26-49-115(100)130(119)94-39-17-6-18-40-94)90-32-27-41-95(68-90)131-120-74-86(82-55-64-116-106(70-82)97-42-19-23-46-112(97)127(116)91-33-11-3-12-34-91)51-60-101(120)102-61-52-87(75-121(102)131)83-56-65-117-107(71-83)98-43-20-24-47-113(98)128(117)92-35-13-4-14-36-92;1-6-27-75(28-7-1)90-39-16-17-40-91(90)105-74-104(119-118(120-105)126-116-72-82(78-55-63-112-102(68-78)94-43-20-24-47-108(94)123(112)87-34-12-4-13-35-87)51-59-98(116)99-60-52-83(73-117(99)126)79-56-64-113-103(69-79)95-44-21-25-48-109(95)124(113)88-36-14-5-15-37-88)84-29-26-38-89(65-84)125-114-70-80(76-53-61-110-100(66-76)92-41-18-22-45-106(92)121(110)85-30-8-2-9-31-85)49-57-96(114)97-58-50-81(71-115(97)125)77-54-62-111-101(67-77)93-42-19-23-46-107(93)122(111)86-32-10-3-11-33-86/h1-78H;1-74H
InChIKeyMRTHHYMJQHPCMZ-UHFFFAOYSA-N
XLogP63.12
TPSA110.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003283.99
LogP ≤ 563.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 159305236
3-[9-[4-[2,5-bis(4-phenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134237067
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
9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene
CID 161466513
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 134237041
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (CID 159652525) is 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)nc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is MRTHHYMJQHPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H78N8.C118H74N8/c1-7-28-79(29-8-1)81-50-59-96(105(69-81)80-30-9-2-10-31-80)111-78-110(125-124(126-111)132-122-76-88(84-57-66-118-108(72-84)99-44-21-25-48-114(99)129(118)93-37-15-5-16-38-93)53-62-103(122)104-63-54-89(77-123(104)132)85-58-67-119-109(73-85)100-45-22-26-49-115(100)130(119)94-39-17-6-18-40-94)90-32-27-41-95(68-90)131-120-74-86(82-55-64-116-106(70-82)97-42-19-23-46-112(97)127(116)91-33-11-3-12-34-91)51-60-101(120)102-61-52-87(75-121(102)131)83-56-65-117-107(71-83)98-43-20-24-47-113(98)128(117)92-35-13-4-14-36-92;1-6-27-75(28-7-1)90-39-16-17-40-91(90)105-74-104(119-118(120-105)126-116-72-82(78-55-63-112-102(68-78)94-43-20-24-47-108(94)123(112)87-34-12-4-13-35-87)51-59-98(116)99-60-52-83(73-117(99)126)79-56-64-113-103(69-79)95-44-21-25-48-109(95)124(113)88-36-14-5-15-37-88)84-29-26-38-89(65-84)125-114-70-80(76-53-61-110-100(66-76)92-41-18-22-45-106(92)121(110)85-30-8-2-9-31-85)49-57-96(114)97-58-50-81(71-115(97)125)77-54-62-111-101(67-77)93-42-19-23-46-107(93)122(111)86-32-10-3-11-33-86/h1-78H;1-74H.
What are the key properties of 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 3283.99 g/mol, XLogP of 63.12, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 159652525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).