9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

C136H128N10 — CID 153452165

IUPAC9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C136H128N10/c1-129(2,3)83-36-56-113-99(69-83)100-70-84(130(4,5)6)37-57-114(100)141(113)95-52-64-121-107(77-95)108-78-96(142-115-58-38-85(131(7,8)9)71-101(115)102-72-86(132(10,11)12)39-59-116(102)142)53-65-122(108)139(121)91-44-48-93(49-45-91)145-125-34-27-25-32-111(125)137-127(145)81-30-29-31-82(68-81)128-138-112-33-26-28-35-126(112)146(128)94-50-46-92(47-51-94)140-123-66-54-97(143-117-60-40-87(133(13,14)15)73-103(117)104-74-88(134(16,17)18)41-61-118(104)143)79-109(123)110-80-98(55-67-124(110)140)144-119-62-42-89(135(19,20)21)75-105(119)106-76-90(136(22,23)24)43-63-120(106)144/h25-80H,1-24H3
InChIKeyUZZAKKADAZUAIX-UHFFFAOYSA-N
MW1902.59 g/mol
LogP36.66
Rot. Bonds10

About 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (PubChem CID 153452165) has the molecular formula C136H128N10 and a molecular weight of 1902.59 g/mol. Its IUPAC name is 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
PubChem CID153452165
Molecular FormulaC136H128N10
Molecular Weight1902.59 g/mol
Exact Mass1901.03
IUPAC Name9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C136H128N10/c1-129(2,3)83-36-56-113-99(69-83)100-70-84(130(4,5)6)37-57-114(100)141(113)95-52-64-121-107(77-95)108-78-96(142-115-58-38-85(131(7,8)9)71-101(115)102-72-86(132(10,11)12)39-59-116(102)142)53-65-122(108)139(121)91-44-48-93(49-45-91)145-125-34-27-25-32-111(125)137-127(145)81-30-29-31-82(68-81)128-138-112-33-26-28-35-126(112)146(128)94-50-46-92(47-51-94)140-123-66-54-97(143-117-60-40-87(133(13,14)15)73-103(117)104-74-88(134(16,17)18)41-61-118(104)143)79-109(123)110-80-98(55-67-124(110)140)144-119-62-42-89(135(19,20)21)75-105(119)106-76-90(136(22,23)24)43-63-120(106)144/h25-80H,1-24H3
InChIKeyUZZAKKADAZUAIX-UHFFFAOYSA-N
XLogP36.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001902.59
LogP ≤ 536.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole with MolForge

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Related Compounds

3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)
CID 153452167
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159092150
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (CID 153452165) is 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)cc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The InChIKey is UZZAKKADAZUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H128N10/c1-129(2,3)83-36-56-113-99(69-83)100-70-84(130(4,5)6)37-57-114(100)141(113)95-52-64-121-107(77-95)108-78-96(142-115-58-38-85(131(7,8)9)71-101(115)102-72-86(132(10,11)12)39-59-116(102)142)53-65-122(108)139(121)91-44-48-93(49-45-91)145-125-34-27-25-32-111(125)137-127(145)81-30-29-31-82(68-81)128-138-112-33-26-28-35-126(112)146(128)94-50-46-92(47-51-94)140-123-66-54-97(143-117-60-40-87(133(13,14)15)73-103(117)104-74-88(134(16,17)18)41-61-118(104)143)79-109(123)110-80-98(55-67-124(110)140)144-119-62-42-89(135(19,20)21)75-105(119)106-76-90(136(22,23)24)43-63-120(106)144/h25-80H,1-24H3.
What are the key properties of 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole has a molecular weight of 1902.59 g/mol, XLogP of 36.66, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is sourced from PubChem (CID 153452165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).