11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen

C34H28N4 — CID 142355729

IUPAC11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen
SMILESCn1cnc2c3ccccc3c3ccccc3c21.[H][H].[H][H].c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21
InChIInChI=1S/C18H12N2.C16H12N2.2H2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;;/h1-10,19-20H;2-10H,1H3;2*1H
InChIKeyMTHMZQZCIQOCTG-UHFFFAOYSA-N
MW492.63 g/mol
LogP9.33
Rot. Bonds

About 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen

11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen (PubChem CID 142355729) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen.

Molecular Properties

Compound Name11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen
PubChem CID142355729
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen
SMILESCn1cnc2c3ccccc3c3ccccc3c21.[H][H].[H][H].c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21
InChIInChI=1S/C18H12N2.C16H12N2.2H2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;;/h1-10,19-20H;2-10H,1H3;2*1H
InChIKeyMTHMZQZCIQOCTG-UHFFFAOYSA-N
XLogP9.33
TPSA49.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
15-octyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 11155335
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432306
3-methyl-6H-imidazo[4,5-a]acridin-11-one
CID 42638357
3-(4-phenanthro[9,10-d]imidazol-3-ylphenyl)phenanthro[9,10-d]imidazole
CID 88853117
1,2-dipyridin-2-yl-9H-carbazole
CID 166099001
3,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one
CID 3106031
dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium
CID 6955520
20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-18-amine;20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,21,23,25-tridecaene
CID 165101385
1-methylthiochromeno[3,4-d]imidazol-4-one
CID 1240549

Frequently Asked Questions

What is the IUPAC name of 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen?
The IUPAC name of 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen (CID 142355729) is 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen.
What is the SMILES notation for 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen?
The canonical SMILES for 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen is Cn1cnc2c3ccccc3c3ccccc3c21.[H][H].[H][H].c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21.
What is the InChIKey of 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen?
The InChIKey is MTHMZQZCIQOCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2.C16H12N2.2H2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15;1-18-10-17-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18;;/h1-10,19-20H;2-10H,1H3;2*1H.
What are the key properties of 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen?
11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen has a molecular weight of 492.63 g/mol, XLogP of 9.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dihydroindolo[2,3-a]carbazole;3-methylphenanthro[9,10-d]imidazole;molecular hydrogen is sourced from PubChem (CID 142355729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).