5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole

C80H51N7 — CID 129292170

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C80H51N7/c1-7-21-51(22-8-1)69-49-70(52-23-9-2-10-24-52)83-79(82-69)61-33-19-35-75-77(61)65-47-57(39-43-73(65)86(75)59-29-15-5-16-30-59)55-37-41-67-63(45-55)64-46-56(38-42-68(64)81-67)58-40-44-74-66(48-58)78-62(34-20-36-76(78)87(74)60-31-17-6-18-32-60)80-84-71(53-25-11-3-12-26-53)50-72(85-80)54-27-13-4-14-28-54/h1-50,81H
InChIKeyPVSSNGVDPVXJAO-UHFFFAOYSA-N
MW1110.34 g/mol
LogP20.43
Rot. Bonds10

About 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole

5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole (PubChem CID 129292170) has the molecular formula C80H51N7 and a molecular weight of 1110.34 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole
PubChem CID129292170
Molecular FormulaC80H51N7
Molecular Weight1110.34 g/mol
Exact Mass1109.42
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C80H51N7/c1-7-21-51(22-8-1)69-49-70(52-23-9-2-10-24-52)83-79(82-69)61-33-19-35-75-77(61)65-47-57(39-43-73(65)86(75)59-29-15-5-16-30-59)55-37-41-67-63(45-55)64-46-56(38-42-68(64)81-67)58-40-44-74-66(48-58)78-62(34-20-36-76(78)87(74)60-31-17-6-18-32-60)80-84-71(53-25-11-3-12-26-53)50-72(85-80)54-27-13-4-14-28-54/h1-50,81H
InChIKeyPVSSNGVDPVXJAO-UHFFFAOYSA-N
XLogP20.43
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.34
LogP ≤ 520.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292169
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
CID 145327908

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole (CID 129292170) is 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is PVSSNGVDPVXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51N7/c1-7-21-51(22-8-1)69-49-70(52-23-9-2-10-24-52)83-79(82-69)61-33-19-35-75-77(61)65-47-57(39-43-73(65)86(75)59-29-15-5-16-30-59)55-37-41-67-63(45-55)64-46-56(38-42-68(64)81-67)58-40-44-74-66(48-58)78-62(34-20-36-76(78)87(74)60-31-17-6-18-32-60)80-84-71(53-25-11-3-12-26-53)50-72(85-80)54-27-13-4-14-28-54/h1-50,81H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole?
5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1110.34 g/mol, XLogP of 20.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 129292170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).