3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole

C27H25N — CID 145347699

IUPAC3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole
SMILESC=Cc1c(/C=C\C)c2c3cc4ccccc4cc3ccc2n1C1C=CCCC1
InChIInChI=1S/C27H25N/c1-3-10-23-25(4-2)28(22-13-6-5-7-14-22)26-16-15-21-17-19-11-8-9-12-20(19)18-24(21)27(23)26/h3-4,6,8-13,15-18,22H,2,5,7,14H2,1H3/b10-3-
InChIKeyDKFUCQCJVONLNB-KMKOMSMNSA-N
MW363.50 g/mol
LogP7.91
Rot. Bonds3

About 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole

3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole (PubChem CID 145347699) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole
PubChem CID145347699
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole
SMILESC=Cc1c(/C=C\C)c2c3cc4ccccc4cc3ccc2n1C1C=CCCC1
InChIInChI=1S/C27H25N/c1-3-10-23-25(4-2)28(22-13-6-5-7-14-22)26-16-15-21-17-19-11-8-9-12-20(19)18-24(21)27(23)26/h3-4,6,8-13,15-18,22H,2,5,7,14H2,1H3/b10-3-
InChIKeyDKFUCQCJVONLNB-KMKOMSMNSA-N
XLogP7.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-cyclohex-2-en-1-yl-10,11-bis[(Z)-prop-1-enyl]indolo[5,4-h]quinoline
CID 145347618
2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
CID 58456620
1-prop-1-enylanthracen-2-ol
CID 88685593
7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
CID 153399328
cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
CID 145347583
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010
2-chloro-1-cyclohex-2-en-1-ylbenzimidazole
CID 122210350
9-cyclohex-2-en-1-yl-6-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]pyrido[3,4-b]indole
CID 88908819
1-prop-1-enylanthracene
CID 54542061
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 170405383
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]pyrrolo[2,3-k]phenanthridine
CID 129127682

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole?
The IUPAC name of 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole (CID 145347699) is 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole?
The canonical SMILES for 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole is C=Cc1c(/C=C\C)c2c3cc4ccccc4cc3ccc2n1C1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole?
The InChIKey is DKFUCQCJVONLNB-KMKOMSMNSA-N. The full InChI is InChI=1S/C27H25N/c1-3-10-23-25(4-2)28(22-13-6-5-7-14-22)26-16-15-21-17-19-11-8-9-12-20(19)18-24(21)27(23)26/h3-4,6,8-13,15-18,22H,2,5,7,14H2,1H3/b10-3-.
What are the key properties of 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole?
3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole has a molecular weight of 363.50 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole is sourced from PubChem (CID 145347699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).