11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene

C111H90N6OS2 — CID 158013103

IUPAC11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene
SMILESC1=Cc2ccccc2Nc2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.c1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C24H18N2.C15H15N.C14H11N.C13H10S.C12H9N.C12H8O.C12H8S.C9H11N/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-18H;3-10,16H,1-2H3;1-10,15H;1-8H,9H2;1-8,13H;2*1-8H;1-2,4,6,10H,3,5,7H2
InChIKeyFFDFVEOSHUHGPL-UHFFFAOYSA-N
MW1588.12 g/mol
LogP31.67
Rot. Bonds2

About 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene

11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene (PubChem CID 158013103) has the molecular formula C111H90N6OS2 and a molecular weight of 1588.12 g/mol. Its IUPAC name is 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene.

Molecular Properties

Compound Name11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene
PubChem CID158013103
Molecular FormulaC111H90N6OS2
Molecular Weight1588.12 g/mol
Exact Mass1586.66
IUPAC Name11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene
SMILESC1=Cc2ccccc2Nc2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.c1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C24H18N2.C15H15N.C14H11N.C13H10S.C12H9N.C12H8O.C12H8S.C9H11N/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-18H;3-10,16H,1-2H3;1-10,15H;1-8H,9H2;1-8,13H;2*1-8H;1-2,4,6,10H,3,5,7H2
InChIKeyFFDFVEOSHUHGPL-UHFFFAOYSA-N
XLogP31.67
TPSA71.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.12
LogP ≤ 531.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene?
The IUPAC name of 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene (CID 158013103) is 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene.
What is the SMILES notation for 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene?
The canonical SMILES for 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene is C1=Cc2ccccc2Nc2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.c1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene?
The InChIKey is FFDFVEOSHUHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2.C15H15N.C14H11N.C13H10S.C12H9N.C12H8O.C12H8S.C9H11N/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-18H;3-10,16H,1-2H3;1-10,15H;1-8H,9H2;1-8,13H;2*1-8H;1-2,4,6,10H,3,5,7H2.
What are the key properties of 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene?
11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene has a molecular weight of 1588.12 g/mol, XLogP of 31.67, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b][1]benzazepine;9H-carbazole;dibenzofuran;dibenzothiophene;9,9-dimethyl-10H-acridine;5,10-diphenylphenazine;1,2,3,4-tetrahydroquinoline;9H-thioxanthene is sourced from PubChem (CID 158013103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).