11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline

C43H31N2OP — CID 146480841

IUPAC11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2c2ccccc2n3-c2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C43H31N2OP/c46-47(34-15-3-1-4-16-34,35-17-5-2-6-18-35)36-27-24-31(25-28-36)42-41-38-20-10-12-22-40(38)45(43(41)37-19-9-11-21-39(37)44-42)33-26-23-30-13-7-8-14-32(30)29-33/h1-6,8-12,14-29H,7,13H2
InChIKeyZIHCUSHNCKVGEG-UHFFFAOYSA-N
MW622.71 g/mol
LogP9.60
Rot. Bonds5

About 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline

11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline (PubChem CID 146480841) has the molecular formula C43H31N2OP and a molecular weight of 622.71 g/mol. Its IUPAC name is 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline.

Molecular Properties

Compound Name11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline
PubChem CID146480841
Molecular FormulaC43H31N2OP
Molecular Weight622.71 g/mol
Exact Mass622.22
IUPAC Name11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2c2ccccc2n3-c2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C43H31N2OP/c46-47(34-15-3-1-4-16-34,35-17-5-2-6-18-35)36-27-24-31(25-28-36)42-41-38-20-10-12-22-40(38)45(43(41)37-19-9-11-21-39(37)44-42)33-26-23-30-13-7-8-14-32(30)29-33/h1-6,8-12,14-29H,7,13H2
InChIKeyZIHCUSHNCKVGEG-UHFFFAOYSA-N
XLogP9.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.71
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline
CID 146480844
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
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
3-(3-diphenylphosphorylphenyl)-14-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 129123835
6-phenyl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]quinoline;6-phenyl-11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinoline
CID 159724561
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
11-[4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;11-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;methane
CID 158015741
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
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
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480609
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480611
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894

Frequently Asked Questions

What is the IUPAC name of 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline?
The IUPAC name of 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline (CID 146480841) is 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline.
What is the SMILES notation for 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline?
The canonical SMILES for 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2c2ccccc2n3-c2ccc3c(c2)C=CCC3)cc1.
What is the InChIKey of 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline?
The InChIKey is ZIHCUSHNCKVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N2OP/c46-47(34-15-3-1-4-16-34,35-17-5-2-6-18-35)36-27-24-31(25-28-36)42-41-38-20-10-12-22-40(38)45(43(41)37-19-9-11-21-39(37)44-42)33-26-23-30-13-7-8-14-32(30)29-33/h1-6,8-12,14-29H,7,13H2.
What are the key properties of 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline?
11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline has a molecular weight of 622.71 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5,6-dihydronaphthalen-2-yl)-6-(4-diphenylphosphorylphenyl)indolo[3,2-c]quinoline is sourced from PubChem (CID 146480841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).