11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine

C159H101N10OP — CID 164995217

IUPAC11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4ccccc4)nc4ccccc4c23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H35N3.C51H32N4.C51H34N3OP/c1-4-16-38(17-5-1)54-53-52(47-26-14-15-27-50(47)58-54)48(35-51-57(53)60-56(40-20-8-3-9-21-40)55(59-51)39-18-6-2-7-19-39)37-30-28-36(29-31-37)41-32-33-46-44-24-11-10-22-42(44)43-23-12-13-25-45(43)49(46)34-41;1-4-16-34(17-5-1)48-47-46(40-24-10-13-25-42(40)52-48)41(32-43-51(47)54-50(36-20-8-3-9-21-36)49(53-43)35-18-6-2-7-19-35)33-28-30-37(31-29-33)55-44-26-14-11-22-38(44)39-23-12-15-27-45(39)55;55-56(39-24-12-4-13-25-39,40-26-14-5-15-27-40)41-32-30-35(31-33-41)43-34-45-51(54-50(38-22-10-3-11-23-38)49(53-45)37-20-8-2-9-21-37)47-46(43)42-28-16-17-29-44(42)52-48(47)36-18-6-1-7-19-36/h1-35H;1-32H;1-34H
InChIKeyHLNXZRKIKIIKDP-UHFFFAOYSA-N
MW2198.60 g/mol
LogP39.86
Rot. Bonds17

About 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine

11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine (PubChem CID 164995217) has the molecular formula C159H101N10OP and a molecular weight of 2198.60 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine.

Molecular Properties

Compound Name11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
PubChem CID164995217
Molecular FormulaC159H101N10OP
Molecular Weight2198.60 g/mol
Exact Mass2196.79
IUPAC Name11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4ccccc4)nc4ccccc4c23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H35N3.C51H32N4.C51H34N3OP/c1-4-16-38(17-5-1)54-53-52(47-26-14-15-27-50(47)58-54)48(35-51-57(53)60-56(40-20-8-3-9-21-40)55(59-51)39-18-6-2-7-19-39)37-30-28-36(29-31-37)41-32-33-46-44-24-11-10-22-42(44)43-23-12-13-25-45(43)49(46)34-41;1-4-16-34(17-5-1)48-47-46(40-24-10-13-25-42(40)52-48)41(32-43-51(47)54-50(36-20-8-3-9-21-36)49(53-43)35-18-6-2-7-19-35)33-28-30-37(31-29-33)55-44-26-14-11-22-38(44)39-23-12-15-27-45(39)55;55-56(39-24-12-4-13-25-39,40-26-14-5-15-27-40)41-32-30-35(31-33-41)43-34-45-51(54-50(38-22-10-3-11-23-38)49(53-45)37-20-8-2-9-21-37)47-46(43)42-28-16-17-29-44(42)52-48(47)36-18-6-1-7-19-36/h1-35H;1-32H;1-34H
InChIKeyHLNXZRKIKIIKDP-UHFFFAOYSA-N
XLogP39.86
TPSA138.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.60
LogP ≤ 539.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine with MolForge

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Related Compounds

5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165108633
9-(4-diphenylphosphorylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122516
5-[2-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(2-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165021536
14-(4-diphenylphosphorylphenyl)-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123212
7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 165016104
14-phenyl-9-(4-triphenylen-2-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122643
6-(4-diphenylphosphorylphenyl)-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723914
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;11-isocyano-2,3-diphenyl-5-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165031631
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474855
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
CID 165081497

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The IUPAC name of 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine (CID 164995217) is 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine.
What is the SMILES notation for 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The canonical SMILES for 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4ccccc4)nc4ccccc4c23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c5ccccc5nc(-c5ccccc5)c4c3nc2-c2ccccc2)cc1.
What is the InChIKey of 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The InChIKey is HLNXZRKIKIIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3.C51H32N4.C51H34N3OP/c1-4-16-38(17-5-1)54-53-52(47-26-14-15-27-50(47)58-54)48(35-51-57(53)60-56(40-20-8-3-9-21-40)55(59-51)39-18-6-2-7-19-39)37-30-28-36(29-31-37)41-32-33-46-44-24-11-10-22-42(44)43-23-12-13-25-45(43)49(46)34-41;1-4-16-34(17-5-1)48-47-46(40-24-10-13-25-42(40)52-48)41(32-43-51(47)54-50(36-20-8-3-9-21-36)49(53-43)35-18-6-2-7-19-35)33-28-30-37(31-29-33)55-44-26-14-11-22-38(44)39-23-12-15-27-45(39)55;55-56(39-24-12-4-13-25-39,40-26-14-5-15-27-40)41-32-30-35(31-33-41)43-34-45-51(54-50(38-22-10-3-11-23-38)49(53-45)37-20-8-2-9-21-37)47-46(43)42-28-16-17-29-44(42)52-48(47)36-18-6-1-7-19-36/h1-35H;1-32H;1-34H.
What are the key properties of 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine has a molecular weight of 2198.60 g/mol, XLogP of 39.86, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine is sourced from PubChem (CID 164995217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).