5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene

C133H89N5O2S2 — CID 159888637

IUPAC5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene
SMILESCn1cnc2c3ccccc3c3ccccc3c21.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1occc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21
InChIInChI=1S/C19H13N.C18H12.C18H14.C16H12N2.C16H10O.C16H10S.C15H9NO.C15H9NS/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;2*1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-8,10-11,20H,9H2;1-12H;1-14H;2-10H,1H3;2*1-10H;2*1-9H
InChIKeyNULOCKBWXUPYIF-UHFFFAOYSA-N
MW1853.34 g/mol
LogP37.62
Rot. Bonds2

About 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene

5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene (PubChem CID 159888637) has the molecular formula C133H89N5O2S2 and a molecular weight of 1853.34 g/mol. Its IUPAC name is 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene.

Molecular Properties

Compound Name5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene
PubChem CID159888637
Molecular FormulaC133H89N5O2S2
Molecular Weight1853.34 g/mol
Exact Mass1851.65
IUPAC Name5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene
SMILESCn1cnc2c3ccccc3c3ccccc3c21.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1occc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21
InChIInChI=1S/C19H13N.C18H12.C18H14.C16H12N2.C16H10O.C16H10S.C15H9NO.C15H9NS/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;2*1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-8,10-11,20H,9H2;1-12H;1-14H;2-10H,1H3;2*1-10H;2*1-9H
InChIKeyNULOCKBWXUPYIF-UHFFFAOYSA-N
XLogP37.62
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001853.34
LogP ≤ 537.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene with MolForge

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Related Compounds

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2-[6-Benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole
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Frequently Asked Questions

What is the IUPAC name of 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene?
The IUPAC name of 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene (CID 159888637) is 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene.
What is the SMILES notation for 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene?
The canonical SMILES for 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene is Cn1cnc2c3ccccc3c3ccccc3c21.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1occc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21.
What is the InChIKey of 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene?
The InChIKey is NULOCKBWXUPYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.C18H12.C18H14.C16H12N2.C16H10O.C16H10S.C15H9NO.C15H9NS/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;2*1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-8,10-11,20H,9H2;1-12H;1-14H;2-10H,1H3;2*1-10H;2*1-9H.
What are the key properties of 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene?
5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene has a molecular weight of 1853.34 g/mol, XLogP of 37.62, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dihydroindeno[1,2-b]carbazole;1,3-diphenylbenzene;3-methylphenanthro[9,10-d]imidazole;phenanthro[9,10-b]furan;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;triphenylene is sourced from PubChem (CID 159888637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).