4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine

C144H85N11 — CID 160501974

IUPAC4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccc(C#N)cc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccccc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6cccnc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C49H28N4.C48H29N3.C47H28N4/c1-51-38-22-26-47-44(29-38)43-27-36(21-25-46(43)53(47)39-8-3-2-4-9-39)33-15-17-35(18-16-33)49-42-24-19-34-7-5-6-10-40(34)48(42)41-23-20-37(28-45(41)52-49)32-13-11-31(30-50)12-14-32;1-49-37-23-27-46-43(30-37)42-28-35(22-26-45(42)51(46)38-13-6-3-7-14-38)32-16-18-34(19-17-32)48-41-25-20-33-12-8-9-15-39(33)47(41)40-24-21-36(29-44(40)50-48)31-10-4-2-5-11-31;1-48-36-20-24-45-42(28-36)41-26-33(19-23-44(41)51(45)37-10-3-2-4-11-37)30-13-15-32(16-14-30)47-40-22-17-31-8-5-6-12-38(31)46(40)39-21-18-34(27-43(39)50-47)35-9-7-25-49-29-35/h2-29H;2-30H;2-29H
InChIKeyQRXCWGPBNCKCPD-UHFFFAOYSA-N
MW1969.34 g/mol
LogP38.84
Rot. Bonds12

About 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine

4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine (PubChem CID 160501974) has the molecular formula C144H85N11 and a molecular weight of 1969.34 g/mol. Its IUPAC name is 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
PubChem CID160501974
Molecular FormulaC144H85N11
Molecular Weight1969.34 g/mol
Exact Mass1967.70
IUPAC Name4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccc(C#N)cc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccccc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6cccnc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C49H28N4.C48H29N3.C47H28N4/c1-51-38-22-26-47-44(29-38)43-27-36(21-25-46(43)53(47)39-8-3-2-4-9-39)33-15-17-35(18-16-33)49-42-24-19-34-7-5-6-10-40(34)48(42)41-23-20-37(28-45(41)52-49)32-13-11-31(30-50)12-14-32;1-49-37-23-27-46-43(30-37)42-28-35(22-26-45(42)51(46)38-13-6-3-7-14-38)32-16-18-34(19-17-32)48-41-25-20-33-12-8-9-15-39(33)47(41)40-24-21-36(29-44(40)50-48)31-10-4-2-5-11-31;1-48-36-20-24-45-42(28-36)41-26-33(19-23-44(41)51(45)37-10-3-2-4-11-37)30-13-15-32(16-14-30)47-40-22-17-31-8-5-6-12-38(31)46(40)39-21-18-34(27-43(39)50-47)35-9-7-25-49-29-35/h2-29H;2-30H;2-29H
InChIKeyQRXCWGPBNCKCPD-UHFFFAOYSA-N
XLogP38.84
TPSA103.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001969.34
LogP ≤ 538.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine with MolForge

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Related Compounds

6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
CID 123563409
18-[4-(6-isocyano-9-phenylcarbazol-3-yl)naphthalen-1-yl]-22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene;18-(4-phenanthridin-6-ylphenyl)-22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene;22-phenyl-18-(4-pyridin-3-ylnaphthalen-1-yl)-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene;4-[4-(22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaen-18-yl)naphthalen-1-yl]benzonitrile;22-phenyl-18-[4-(6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-22-yl)phenyl]-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
CID 160597307
9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
CID 157324768
3-(2,6-diphenyl-10-pyridin-3-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole
CID 123347422
18-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 140784193
18-(6-isocyano-9-phenylcarbazol-3-yl)-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 140784200
9-phenyl-6-(22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaen-18-yl)carbazole-3-carbonitrile
CID 129311459
3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 118332288
18-[4-(6-isocyano-9-phenylcarbazol-3-yl)naphthalen-1-yl]-22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
CID 140795168
3,6-diisocyano-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 140725187
2-isocyano-9-phenyl-7-(7-phenylpyren-2-yl)carbazole;2-isocyano-9-phenyl-7-pyren-2-ylcarbazole;2-isocyano-9-phenyl-7-(7-pyridin-3-ylpyren-2-yl)carbazole
CID 160942314
3-isocyano-6-(10-naphthalen-1-ylanthracen-9-yl)-9-(3-pyridin-3-ylphenyl)carbazole
CID 123334675

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine?
The IUPAC name of 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine (CID 160501974) is 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine.
What is the SMILES notation for 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine?
The canonical SMILES for 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccc(C#N)cc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6ccccc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc(-c6cccnc6)ccc5c5c4ccc4ccccc45)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine?
The InChIKey is QRXCWGPBNCKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4.C48H29N3.C47H28N4/c1-51-38-22-26-47-44(29-38)43-27-36(21-25-46(43)53(47)39-8-3-2-4-9-39)33-15-17-35(18-16-33)49-42-24-19-34-7-5-6-10-40(34)48(42)41-23-20-37(28-45(41)52-49)32-13-11-31(30-50)12-14-32;1-49-37-23-27-46-43(30-37)42-28-35(22-26-45(42)51(46)38-13-6-3-7-14-38)32-16-18-34(19-17-32)48-41-25-20-33-12-8-9-15-39(33)47(41)40-24-21-36(29-44(40)50-48)31-10-4-2-5-11-31;1-48-36-20-24-45-42(28-36)41-26-33(19-23-44(41)51(45)37-10-3-2-4-11-37)30-13-15-32(16-14-30)47-40-22-17-31-8-5-6-12-38(31)46(40)39-21-18-34(27-43(39)50-47)35-9-7-25-49-29-35/h2-29H;2-30H;2-29H.
What are the key properties of 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine?
4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine has a molecular weight of 1969.34 g/mol, XLogP of 38.84, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine is sourced from PubChem (CID 160501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).