2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole

C156H99N9 — CID 158710301

IUPAC2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)n2)cc1
InChIInChI=1S/3C52H33N3/c1-4-15-34(16-5-1)47-33-48(54-52(53-47)35-17-6-2-7-18-35)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-27-29-42-40-21-10-11-22-41(40)44-25-14-24-39(51(44)46(42)32-37)36-28-30-50-45(31-36)43-23-12-13-26-49(43)55(50)38-19-8-3-9-20-38/h3*1-33H
InChIKeyIIQAWHFMDSUERY-UHFFFAOYSA-N
MW2099.57 g/mol
LogP41.10
Rot. Bonds15

About 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole

2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole (PubChem CID 158710301) has the molecular formula C156H99N9 and a molecular weight of 2099.57 g/mol. Its IUPAC name is 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
PubChem CID158710301
Molecular FormulaC156H99N9
Molecular Weight2099.57 g/mol
Exact Mass2097.80
IUPAC Name2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)n2)cc1
InChIInChI=1S/3C52H33N3/c1-4-15-34(16-5-1)47-33-48(54-52(53-47)35-17-6-2-7-18-35)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-27-29-42-40-21-10-11-22-41(40)44-25-14-24-39(51(44)46(42)32-37)36-28-30-50-45(31-36)43-23-12-13-26-49(43)55(50)38-19-8-3-9-20-38/h3*1-33H
InChIKeyIIQAWHFMDSUERY-UHFFFAOYSA-N
XLogP41.10
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002099.57
LogP ≤ 541.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[10-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 138599940
2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366734
3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
2-(12-dibenzofuran-2-yltriphenylen-2-yl)-4,6-diphenylpyridine;3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 159916327
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
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
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
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[5-(2,6-diphenylpyrimidin-4-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 138600375
4-[3-(10-dibenzothiophen-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-phenylcarbazole
CID 157091927
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
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

Frequently Asked Questions

What is the IUPAC name of 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole?
The IUPAC name of 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole (CID 158710301) is 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4c3)n2)cc1.
What is the InChIKey of 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole?
The InChIKey is IIQAWHFMDSUERY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H33N3/c1-4-15-34(16-5-1)47-33-48(54-52(53-47)35-17-6-2-7-18-35)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-28-29-42-40-21-10-11-22-41(40)45-25-14-24-39(51(45)46(42)31-37)36-27-30-44-43-23-12-13-26-49(43)55(50(44)32-36)38-19-8-3-9-20-38;1-4-15-34(16-5-1)47-33-48(35-17-6-2-7-18-35)54-52(53-47)37-27-29-42-40-21-10-11-22-41(40)44-25-14-24-39(51(44)46(42)32-37)36-28-30-50-45(31-36)43-23-12-13-26-49(43)55(50)38-19-8-3-9-20-38/h3*1-33H.
What are the key properties of 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole?
2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole has a molecular weight of 2099.57 g/mol, XLogP of 41.10, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 158710301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).