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

C92H64N6 — CID 134237078

IUPAC3-[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
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)c1
InChIInChI=1S/C92H64N6/c1-57-45-58(2)48-66(47-57)71-31-20-32-72(67-49-59(3)46-60(4)50-67)91(71)82-56-81(93-92(94-82)98-86-36-18-14-30-76(86)80-55-64(40-44-90(80)98)62-38-42-88-78(53-62)74-28-12-16-34-84(74)96(88)69-24-9-6-10-25-69)65-21-19-26-70(51-65)97-85-35-17-13-29-75(85)79-54-63(39-43-89(79)97)61-37-41-87-77(52-61)73-27-11-15-33-83(73)95(87)68-22-7-5-8-23-68/h5-56H,1-4H3
InChIKeyDBLAYBRVJPFMMR-UHFFFAOYSA-N
MW1253.57 g/mol
LogP24.10
Rot. Bonds10

About 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

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 (PubChem CID 134237078) has the molecular formula C92H64N6 and a molecular weight of 1253.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID134237078
Molecular FormulaC92H64N6
Molecular Weight1253.57 g/mol
Exact Mass1252.52
IUPAC Name3-[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
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)c1
InChIInChI=1S/C92H64N6/c1-57-45-58(2)48-66(47-57)71-31-20-32-72(67-49-59(3)46-60(4)50-67)91(71)82-56-81(93-92(94-82)98-86-36-18-14-30-76(86)80-55-64(40-44-90(80)98)62-38-42-88-78(53-62)74-28-12-16-34-84(74)96(88)69-24-9-6-10-25-69)65-21-19-26-70(51-65)97-85-35-17-13-29-75(85)79-54-63(39-43-89(79)97)61-37-41-87-77(52-61)73-27-11-15-33-83(73)95(87)68-22-7-5-8-23-68/h5-56H,1-4H3
InChIKeyDBLAYBRVJPFMMR-UHFFFAOYSA-N
XLogP24.10
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.57
LogP ≤ 524.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
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-[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
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
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)c1.
What is the InChIKey of 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?
The InChIKey is DBLAYBRVJPFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64N6/c1-57-45-58(2)48-66(47-57)71-31-20-32-72(67-49-59(3)46-60(4)50-67)91(71)82-56-81(93-92(94-82)98-86-36-18-14-30-76(86)80-55-64(40-44-90(80)98)62-38-42-88-78(53-62)74-28-12-16-34-84(74)96(88)69-24-9-6-10-25-69)65-21-19-26-70(51-65)97-85-35-17-13-29-75(85)79-54-63(39-43-89(79)97)61-37-41-87-77(52-61)73-27-11-15-33-83(73)95(87)68-22-7-5-8-23-68/h5-56H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1253.57 g/mol, XLogP of 24.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134237078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).