6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline

C35H20N4 — CID 153412601

IUPAC6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc4ccccc4c4nc5ccccc5cc34)ccc1n2-c1ccccc1
InChIInChI=1S/C35H20N4/c1-36-24-16-18-33-28(21-24)27-20-23(15-17-32(27)39(33)25-10-3-2-4-11-25)34-29-19-22-9-5-7-13-30(22)37-35(29)26-12-6-8-14-31(26)38-34/h2-21H
InChIKeyQDVGHWGSJKHGKN-UHFFFAOYSA-N
MW496.57 g/mol
LogP9.25
Rot. Bonds2

About 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline

6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline (PubChem CID 153412601) has the molecular formula C35H20N4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline
PubChem CID153412601
Molecular FormulaC35H20N4
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc4ccccc4c4nc5ccccc5cc34)ccc1n2-c1ccccc1
InChIInChI=1S/C35H20N4/c1-36-24-16-18-33-28(21-24)27-20-23(15-17-32(27)39(33)25-10-3-2-4-11-25)34-29-19-22-9-5-7-13-30(22)37-35(29)26-12-6-8-14-31(26)38-34/h2-21H
InChIKeyQDVGHWGSJKHGKN-UHFFFAOYSA-N
XLogP9.25
TPSA35.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

13-[10-(6-isocyano-9-phenylcarbazol-3-yl)anthracen-9-yl]-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 140782494
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole
CID 123235900
3-chrysen-6-yl-6-isocyano-9-phenylcarbazole
CID 123975306
7-[4-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzo[c]acridine
CID 155601796
9-[10-(7-isocyano-9-phenylcarbazol-3-yl)anthracen-9-yl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 140782491
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
3-isocyano-9-naphthalen-2-yl-6-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]carbazole
CID 123558638
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
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
6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
CID 123563409
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
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

Frequently Asked Questions

What is the IUPAC name of 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline?
The IUPAC name of 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline (CID 153412601) is 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline.
What is the SMILES notation for 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline?
The canonical SMILES for 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline is [C-]#[N+]c1ccc2c(c1)c1cc(-c3nc4ccccc4c4nc5ccccc5cc34)ccc1n2-c1ccccc1.
What is the InChIKey of 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline?
The InChIKey is QDVGHWGSJKHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N4/c1-36-24-16-18-33-28(21-24)27-20-23(15-17-32(27)39(33)25-10-3-2-4-11-25)34-29-19-22-9-5-7-13-30(22)37-35(29)26-12-6-8-14-31(26)38-34/h2-21H.
What are the key properties of 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline?
6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline has a molecular weight of 496.57 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-isocyano-9-phenylcarbazol-3-yl)quinolino[3,2-c]quinoline is sourced from PubChem (CID 153412601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).