5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide

C170H118N12O2SSi2 — CID 160515158

IUPAC5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide
SMILESC[Si]1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.O=S1(=O)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C64H44N4Si.C54H40N4Si.C52H34N4O2S/c1-5-21-45(22-6-1)56-44-57(46-23-7-2-8-24-46)66-64(65-56)49-26-19-25-47(41-49)48-39-40-59-55(42-48)54-33-13-14-34-58(54)67(59)50-27-20-28-51(43-50)68-60-35-15-17-37-62(60)69(52-29-9-3-10-30-52,53-31-11-4-12-32-53)63-38-18-16-36-61(63)68;1-59(2)52-29-13-11-27-50(52)58(51-28-12-14-30-53(51)59)43-24-16-23-42(35-43)57-48-26-10-9-25-44(48)45-34-40(31-32-49(45)57)39-21-15-22-41(33-39)54-55-46(37-17-5-3-6-18-37)36-47(56-54)38-19-7-4-8-20-38;57-59(58)50-27-11-9-25-48(50)56(49-26-10-12-28-51(49)59)41-22-14-21-40(33-41)55-46-24-8-7-23-42(46)43-32-38(29-30-47(43)55)37-19-13-20-39(31-37)52-53-44(35-15-3-1-4-16-35)34-45(54-52)36-17-5-2-6-18-36/h1-44H;3-36H,1-2H3;1-34H
InChIKeyQTOBMRSTMVMAKF-UHFFFAOYSA-N
MW2449.13 g/mol
LogP39.11
Rot. Bonds20

About 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide

5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide (PubChem CID 160515158) has the molecular formula C170H118N12O2SSi2 and a molecular weight of 2449.13 g/mol. Its IUPAC name is 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide
PubChem CID160515158
Molecular FormulaC170H118N12O2SSi2
Molecular Weight2449.13 g/mol
Exact Mass2446.88
IUPAC Name5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide
SMILESC[Si]1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.O=S1(=O)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C64H44N4Si.C54H40N4Si.C52H34N4O2S/c1-5-21-45(22-6-1)56-44-57(46-23-7-2-8-24-46)66-64(65-56)49-26-19-25-47(41-49)48-39-40-59-55(42-48)54-33-13-14-34-58(54)67(59)50-27-20-28-51(43-50)68-60-35-15-17-37-62(60)69(52-29-9-3-10-30-52,53-31-11-4-12-32-53)63-38-18-16-36-61(63)68;1-59(2)52-29-13-11-27-50(52)58(51-28-12-14-30-53(51)59)43-24-16-23-42(35-43)57-48-26-10-9-25-44(48)45-34-40(31-32-49(45)57)39-21-15-22-41(33-39)54-55-46(37-17-5-3-6-18-37)36-47(56-54)38-19-7-4-8-20-38;57-59(58)50-27-11-9-25-48(50)56(49-26-10-12-28-51(49)59)41-22-14-21-40(33-41)55-46-24-8-7-23-42(46)43-32-38(29-30-47(43)55)37-19-13-20-39(31-37)52-53-44(35-15-3-1-4-16-35)34-45(54-52)36-17-5-2-6-18-36/h1-44H;3-36H,1-2H3;1-34H
InChIKeyQTOBMRSTMVMAKF-UHFFFAOYSA-N
XLogP39.11
TPSA135.99 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.13
LogP ≤ 539.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide with MolForge

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Related Compounds

10,10-diphenyl-5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[b][1,4]benzazasiline
CID 90393939
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole
CID 90209033
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
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
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-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
13-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-phenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 177074538
3-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209017
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide?
The IUPAC name of 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide (CID 160515158) is 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide.
What is the SMILES notation for 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide?
The canonical SMILES for 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide is C[Si]1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.O=S1(=O)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide?
The InChIKey is QTOBMRSTMVMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4Si.C54H40N4Si.C52H34N4O2S/c1-5-21-45(22-6-1)56-44-57(46-23-7-2-8-24-46)66-64(65-56)49-26-19-25-47(41-49)48-39-40-59-55(42-48)54-33-13-14-34-58(54)67(59)50-27-20-28-51(43-50)68-60-35-15-17-37-62(60)69(52-29-9-3-10-30-52,53-31-11-4-12-32-53)63-38-18-16-36-61(63)68;1-59(2)52-29-13-11-27-50(52)58(51-28-12-14-30-53(51)59)43-24-16-23-42(35-43)57-48-26-10-9-25-44(48)45-34-40(31-32-49(45)57)39-21-15-22-41(33-39)54-55-46(37-17-5-3-6-18-37)36-47(56-54)38-19-7-4-8-20-38;57-59(58)50-27-11-9-25-48(50)56(49-26-10-12-28-51(49)59)41-22-14-21-40(33-41)55-46-24-8-7-23-42(46)43-32-38(29-30-47(43)55)37-19-13-20-39(31-37)52-53-44(35-15-3-1-4-16-35)34-45(54-52)36-17-5-2-6-18-36/h1-44H;3-36H,1-2H3;1-34H.
What are the key properties of 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide?
5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide has a molecular weight of 2449.13 g/mol, XLogP of 39.11, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine 5,5-dioxide is sourced from PubChem (CID 160515158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).