(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine

C27H28N2 — CID 145340796

IUPAC(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine
SMILESC/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1
InChIInChI=1S/C27H28N2/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29)/b7-3-,8-4-,27-18+
InChIKeyKZDMJYMXDFQXAP-OFKLQQDTSA-N
MW380.54 g/mol
LogP4.32
Rot. Bonds2

About (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine

(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine (PubChem CID 145340796) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine.

Molecular Properties

Compound Name(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine
PubChem CID145340796
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine
SMILESC/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1
InChIInChI=1S/C27H28N2/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29)/b7-3-,8-4-,27-18+
InChIKeyKZDMJYMXDFQXAP-OFKLQQDTSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine with MolForge

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Related Compounds

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CID 129629873
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CID 91344589
9-(2-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[d]pyrimidine
CID 90705010
ethane;5-methyl-1a,4,7,7b-tetrahydro-1H-cyclopropa[f]quinazoline
CID 144041215
(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane
CID 145340795
5-methyl-1a,4,7,7b-tetrahydro-1H-cyclopropa[f]quinazoline
CID 144041216

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine?
The IUPAC name of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine (CID 145340796) is (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine.
What is the SMILES notation for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine?
The canonical SMILES for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine is C/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1.
What is the InChIKey of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine?
The InChIKey is KZDMJYMXDFQXAP-OFKLQQDTSA-N. The full InChI is InChI=1S/C27H28N2/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29)/b7-3-,8-4-,27-18+.
What are the key properties of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine?
(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine has a molecular weight of 380.54 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine is sourced from PubChem (CID 145340796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).