ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene

C22H26N2 — CID 142355452

IUPACethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene
SMILESC1=CCC=c2c(c3cnccc3n2-c2ccccc2)=C1.CC.CC
InChIInChI=1S/C18H14N2.2C2H6/c1-3-7-14(8-4-1)20-17-10-6-2-5-9-15(17)16-13-19-12-11-18(16)20;2*1-2/h1-5,7-13H,6H2;2*1-2H3
InChIKeyWMOAHVLIALTOQM-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.60
Rot. Bonds1

About ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene

ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene (PubChem CID 142355452) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene.

Molecular Properties

Compound Nameethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene
PubChem CID142355452
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Nameethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene
SMILESC1=CCC=c2c(c3cnccc3n2-c2ccccc2)=C1.CC.CC
InChIInChI=1S/C18H14N2.2C2H6/c1-3-7-14(8-4-1)20-17-10-6-2-5-9-15(17)16-13-19-12-11-18(16)20;2*1-2/h1-5,7-13H,6H2;2*1-2H3
InChIKeyWMOAHVLIALTOQM-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
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5-[3-(6-methyl-1,2-dihydropyridin-2-yl)phenyl]-8-(5-phenyl-2,3-dihydropyrido[4,3-b]indol-8-yl)pyrido[4,3-b]indole
CID 130180960
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
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8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
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8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
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2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole
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Frequently Asked Questions

What is the IUPAC name of ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene?
The IUPAC name of ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene (CID 142355452) is ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene.
What is the SMILES notation for ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene?
The canonical SMILES for ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene is C1=CCC=c2c(c3cnccc3n2-c2ccccc2)=C1.CC.CC.
What is the InChIKey of ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene?
The InChIKey is WMOAHVLIALTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.2C2H6/c1-3-7-14(8-4-1)20-17-10-6-2-5-9-15(17)16-13-19-12-11-18(16)20;2*1-2/h1-5,7-13H,6H2;2*1-2H3.
What are the key properties of ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene?
ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene has a molecular weight of 318.46 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phenyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,5,9,12-hexaene is sourced from PubChem (CID 142355452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).