3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C94H60N6 — CID 134236907

IUPAC3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C94H60N6/c1-5-24-61(25-6-1)73-40-23-41-74(62-26-7-2-8-27-62)93(73)84-60-83(67-28-21-34-71(54-67)99-87-44-19-15-38-77(87)81-58-65(48-52-91(81)99)63-46-50-89-79(56-63)75-36-13-17-42-85(75)97(89)69-30-9-3-10-31-69)95-94(96-84)68-29-22-35-72(55-68)100-88-45-20-16-39-78(88)82-59-66(49-53-92(82)100)64-47-51-90-80(57-64)76-37-14-18-43-86(76)98(90)70-32-11-4-12-33-70/h1-60H
InChIKeySPVVJFFALCBJDO-UHFFFAOYSA-N
MW1273.56 g/mol
LogP24.53
Rot. Bonds11

About 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 134236907) has the molecular formula C94H60N6 and a molecular weight of 1273.56 g/mol. Its IUPAC name is 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID134236907
Molecular FormulaC94H60N6
Molecular Weight1273.56 g/mol
Exact Mass1272.49
IUPAC Name3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C94H60N6/c1-5-24-61(25-6-1)73-40-23-41-74(62-26-7-2-8-27-62)93(73)84-60-83(67-28-21-34-71(54-67)99-87-44-19-15-38-77(87)81-58-65(48-52-91(81)99)63-46-50-89-79(56-63)75-36-13-17-42-85(75)97(89)69-30-9-3-10-31-69)95-94(96-84)68-29-22-35-72(55-68)100-88-45-20-16-39-78(88)82-59-66(49-53-92(82)100)64-47-51-90-80(57-64)76-37-14-18-43-86(76)98(90)70-32-11-4-12-33-70/h1-60H
InChIKeySPVVJFFALCBJDO-UHFFFAOYSA-N
XLogP24.53
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.56
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Related Compounds

9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
3-[9-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134237078
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
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-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696
9-[3-[2-(3-bromophenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632895
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

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 134236907) is 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.
What is the InChIKey of 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is SPVVJFFALCBJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N6/c1-5-24-61(25-6-1)73-40-23-41-74(62-26-7-2-8-27-62)93(73)84-60-83(67-28-21-34-71(54-67)99-87-44-19-15-38-77(87)81-58-65(48-52-91(81)99)63-46-50-89-79(56-63)75-36-13-17-42-85(75)97(89)69-30-9-3-10-31-69)95-94(96-84)68-29-22-35-72(55-68)100-88-45-20-16-39-78(88)82-59-66(49-53-92(82)100)64-47-51-90-80(57-64)76-37-14-18-43-86(76)98(90)70-32-11-4-12-33-70/h1-60H.
What are the key properties of 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1273.56 g/mol, XLogP of 24.53, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 134236907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).