5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C127H119N3 — CID 88941239

IUPAC5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)c7)c6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)c4)c3)cc(-c3cccc(-c4c(C)cc(C(C)(C)C)cc4C)c3)c2)c1
InChIInChI=1S/C127H119N3/c1-76-52-104(123(9,10)11)53-77(2)118(76)94-44-30-38-88(63-94)100-67-98(68-101(71-100)89-39-31-45-95(64-89)119-78(3)54-105(55-79(119)4)124(12,13)14)86-36-27-34-84(60-86)85-35-28-42-92(61-85)114-75-115(129-122(128-114)130-116-51-26-24-49-109(116)111-73-110-108-48-23-25-50-112(108)127(21,22)113(110)74-117(111)130)93-43-29-37-87(62-93)99-69-102(90-40-32-46-96(65-90)120-80(5)56-106(57-81(120)6)125(15,16)17)72-103(70-99)91-41-33-47-97(66-91)121-82(7)58-107(59-83(121)8)126(18,19)20/h23-75H,1-22H3
InChIKeyQIRDFAWCVQSQNH-UHFFFAOYSA-N
MW1687.37 g/mol
LogP35.21
Rot. Bonds14

About 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 88941239) has the molecular formula C127H119N3 and a molecular weight of 1687.37 g/mol. Its IUPAC name is 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID88941239
Molecular FormulaC127H119N3
Molecular Weight1687.37 g/mol
Exact Mass1685.94
IUPAC Name5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)c7)c6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)c4)c3)cc(-c3cccc(-c4c(C)cc(C(C)(C)C)cc4C)c3)c2)c1
InChIInChI=1S/C127H119N3/c1-76-52-104(123(9,10)11)53-77(2)118(76)94-44-30-38-88(63-94)100-67-98(68-101(71-100)89-39-31-45-95(64-89)119-78(3)54-105(55-79(119)4)124(12,13)14)86-36-27-34-84(60-86)85-35-28-42-92(61-85)114-75-115(129-122(128-114)130-116-51-26-24-49-109(116)111-73-110-108-48-23-25-50-112(108)127(21,22)113(110)74-117(111)130)93-43-29-37-87(62-93)99-69-102(90-40-32-46-96(65-90)120-80(5)56-106(57-81(120)6)125(15,16)17)72-103(70-99)91-41-33-47-97(66-91)121-82(7)58-107(59-83(121)8)126(18,19)20/h23-75H,1-22H3
InChIKeyQIRDFAWCVQSQNH-UHFFFAOYSA-N
XLogP35.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001687.37
LogP ≤ 535.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

5-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-5-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,19,19-tetramethyl-7,23-bis[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5(10),6,8,13,16,18(26),20(25),21,23-dodecaene
CID 160646267
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
5-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118888370
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 162483651
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 88941239) is 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)c7)c6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)c4)c3)cc(-c3cccc(-c4c(C)cc(C(C)(C)C)cc4C)c3)c2)c1.
What is the InChIKey of 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is QIRDFAWCVQSQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H119N3/c1-76-52-104(123(9,10)11)53-77(2)118(76)94-44-30-38-88(63-94)100-67-98(68-101(71-100)89-39-31-45-95(64-89)119-78(3)54-105(55-79(119)4)124(12,13)14)86-36-27-34-84(60-86)85-35-28-42-92(61-85)114-75-115(129-122(128-114)130-116-51-26-24-49-109(116)111-73-110-108-48-23-25-50-112(108)127(21,22)113(110)74-117(111)130)93-43-29-37-87(62-93)99-69-102(90-40-32-46-96(65-90)120-80(5)56-106(57-81(120)6)125(15,16)17)72-103(70-99)91-41-33-47-97(66-91)121-82(7)58-107(59-83(121)8)126(18,19)20/h23-75H,1-22H3.
What are the key properties of 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1687.37 g/mol, XLogP of 35.21, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]-6-[3-[3-[3,5-bis[3-(4-tert-butyl-2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 88941239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).