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

C94H60N6 — CID 134236674

IUPAC3-[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
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C94H60N6/c1-5-23-61(24-6-1)74-48-43-64(55-79(74)62-25-7-2-8-26-62)63-27-21-28-69(53-63)84-60-85(96-94(95-84)100-89-42-20-16-38-78(89)83-59-68(47-52-93(83)100)66-45-50-91-81(57-66)76-36-14-18-40-87(76)98(91)72-32-11-4-12-33-72)70-29-22-34-73(54-70)99-88-41-19-15-37-77(88)82-58-67(46-51-92(82)99)65-44-49-90-80(56-65)75-35-13-17-39-86(75)97(90)71-30-9-3-10-31-71/h1-60H
InChIKeyXHIIRIPAWGZWIA-UHFFFAOYSA-N
MW1273.56 g/mol
LogP24.53
Rot. Bonds11

About 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

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 (PubChem CID 134236674) has the molecular formula C94H60N6 and a molecular weight of 1273.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID134236674
Molecular FormulaC94H60N6
Molecular Weight1273.56 g/mol
Exact Mass1272.49
IUPAC Name3-[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
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C94H60N6/c1-5-23-61(24-6-1)74-48-43-64(55-79(74)62-25-7-2-8-26-62)63-27-21-28-69(53-63)84-60-85(96-94(95-84)100-89-42-20-16-38-78(89)83-59-68(47-52-93(83)100)66-45-50-91-81(57-66)76-36-14-18-40-87(76)98(91)72-32-11-4-12-33-72)70-29-22-34-73(54-70)99-88-41-19-15-37-77(88)82-58-67(46-51-92(82)99)65-44-49-90-80(56-65)75-35-13-17-39-86(75)97(90)71-30-9-3-10-31-71/h1-60H
InChIKeyXHIIRIPAWGZWIA-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-[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 with MolForge

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Related Compounds

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-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
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
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
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
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-[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
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is XHIIRIPAWGZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N6/c1-5-23-61(24-6-1)74-48-43-64(55-79(74)62-25-7-2-8-26-62)63-27-21-28-69(53-63)84-60-85(96-94(95-84)100-89-42-20-16-38-78(89)83-59-68(47-52-93(83)100)66-45-50-91-81(57-66)76-36-14-18-40-87(76)98(91)72-32-11-4-12-33-72)70-29-22-34-73(54-70)99-88-41-19-15-37-77(88)82-58-67(46-51-92(82)99)65-44-49-90-80(56-65)75-35-13-17-39-86(75)97(90)71-30-9-3-10-31-71/h1-60H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 134236674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).