3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene

C20H14N2 — CID 134573120

IUPAC3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene
SMILESc1ccc2c(c1)Cn1ccnc1-c1cccc3ccc-2cc13
InChIInChI=1S/C20H14N2/c1-2-6-17-15-9-8-14-5-3-7-18(19(14)12-15)20-21-10-11-22(20)13-16(17)4-1/h1-12H,13H2
InChIKeyRKADFBXOZNXCBJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.73
Rot. Bonds

About 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene

3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene (PubChem CID 134573120) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene.

Molecular Properties

Compound Name3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene
PubChem CID134573120
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene
SMILESc1ccc2c(c1)Cn1ccnc1-c1cccc3ccc-2cc13
InChIInChI=1S/C20H14N2/c1-2-6-17-15-9-8-14-5-3-7-18(19(14)12-15)20-21-10-11-22(20)13-16(17)4-1/h1-12H,13H2
InChIKeyRKADFBXOZNXCBJ-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807
4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
CID 11780737
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
1-ethenyl-2-naphthalen-1-ylimidazole
CID 174900628
4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(3-phenylphenyl)naphthalen-2-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158319710
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
29-azaheptacyclo[21.6.2.12,6.17,11.112,16.017,22.026,30]tetratriaconta-1(29),2,4,6(34),7,9,11(33),12(32),13,15,17,19,21,23(31),24,26(30),27-heptadecaene
CID 171043591
4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 11100413
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
CID 118133292
2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol
CID 167666213

Frequently Asked Questions

What is the IUPAC name of 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene?
The IUPAC name of 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene (CID 134573120) is 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene.
What is the SMILES notation for 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene?
The canonical SMILES for 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene is c1ccc2c(c1)Cn1ccnc1-c1cccc3ccc-2cc13.
What is the InChIKey of 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene?
The InChIKey is RKADFBXOZNXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-6-17-15-9-8-14-5-3-7-18(19(14)12-15)20-21-10-11-22(20)13-16(17)4-1/h1-12H,13H2.
What are the key properties of 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene?
3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene has a molecular weight of 282.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazapentacyclo[12.6.2.02,6.08,13.017,21]docosa-1(20),2,4,8,10,12,14(22),15,17(21),18-decaene is sourced from PubChem (CID 134573120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).