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

C154H91N15 — CID 165031631

IUPAC5-[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
SMILES[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C52H31N5.C52H30N4.C50H30N6/c1-53-43-32-44-52(56-51(36-16-6-3-7-17-36)50(55-44)35-14-4-2-5-15-35)48-47(43)41-20-8-11-21-42(41)54-49(48)37-26-24-33(25-27-37)34-28-30-38(31-29-34)57-45-22-12-9-18-39(45)40-19-10-13-23-46(40)57;1-53-45-31-46-52(56-51(34-16-6-3-7-17-34)50(55-46)33-14-4-2-5-15-33)48-47(45)42-22-12-13-23-44(42)54-49(48)35-26-24-32(25-27-35)36-28-29-41-39-20-9-8-18-37(39)38-19-10-11-21-40(38)43(41)30-36;1-51-42-31-43-49(56-48(35-20-10-4-11-21-35)47(53-43)34-18-8-3-9-19-34)45-44(42)38-24-14-15-25-39(38)52-46(45)36-28-26-33(27-29-36)41-30-40(32-16-6-2-7-17-32)54-50(55-41)37-22-12-5-13-23-37/h2-32H;2*2-31H
InChIKeyMTALCMPIGHLTQE-UHFFFAOYSA-N
MW2151.53 g/mol
LogP40.33
Rot. Bonds15

About 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

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 (PubChem CID 165031631) has the molecular formula C154H91N15 and a molecular weight of 2151.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID165031631
Molecular FormulaC154H91N15
Molecular Weight2151.53 g/mol
Exact Mass2149.76
IUPAC Name5-[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
SMILES[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C52H31N5.C52H30N4.C50H30N6/c1-53-43-32-44-52(56-51(36-16-6-3-7-17-36)50(55-44)35-14-4-2-5-15-35)48-47(43)41-20-8-11-21-42(41)54-49(48)37-26-24-33(25-27-37)34-28-30-38(31-29-34)57-45-22-12-9-18-39(45)40-19-10-13-23-46(40)57;1-53-45-31-46-52(56-51(34-16-6-3-7-17-34)50(55-46)33-14-4-2-5-15-33)48-47(45)42-22-12-13-23-44(42)54-49(48)35-26-24-32(25-27-35)36-28-29-41-39-20-9-8-18-37(39)38-19-10-11-21-40(38)43(41)30-36;1-51-42-31-43-49(56-48(35-20-10-4-11-21-35)47(53-43)34-18-8-3-9-19-34)45-44(42)38-24-14-15-25-39(38)52-46(45)36-28-26-33(27-29-36)41-30-40(32-16-6-2-7-17-32)54-50(55-41)37-22-12-5-13-23-37/h2-32H;2*2-31H
InChIKeyMTALCMPIGHLTQE-UHFFFAOYSA-N
XLogP40.33
TPSA159.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002151.53
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767837
7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine
CID 167063919
7-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767615
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diisocyanophenyl]phenyl]phenyl]carbazole
CID 140779340
7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767619
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-phenyl-14-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]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 129122211
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc3c12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is MTALCMPIGHLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5.C52H30N4.C50H30N6/c1-53-43-32-44-52(56-51(36-16-6-3-7-17-36)50(55-44)35-14-4-2-5-15-35)48-47(43)41-20-8-11-21-42(41)54-49(48)37-26-24-33(25-27-37)34-28-30-38(31-29-34)57-45-22-12-9-18-39(45)40-19-10-13-23-46(40)57;1-53-45-31-46-52(56-51(34-16-6-3-7-17-34)50(55-46)33-14-4-2-5-15-33)48-47(45)42-22-12-13-23-44(42)54-49(48)35-26-24-32(25-27-35)36-28-29-41-39-20-9-8-18-37(39)38-19-10-11-21-40(38)43(41)30-36;1-51-42-31-43-49(56-48(35-20-10-4-11-21-35)47(53-43)34-18-8-3-9-19-34)45-44(42)38-24-14-15-25-39(38)52-46(45)36-28-26-33(27-29-36)41-30-40(32-16-6-2-7-17-32)54-50(55-41)37-22-12-5-13-23-37/h2-32H;2*2-31H.
What are the key properties of 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?
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 has a molecular weight of 2151.53 g/mol, XLogP of 40.33, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165031631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).