(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole

C30H28N2 — CID 142946847

IUPAC(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole
SMILESCC1(C)/C(=C\C=C\N2c3ccc4ccccc4c3C2(C)C)Nc2ccc3ccccc3c21
InChIInChI=1S/C30H28N2/c1-29(2)26(31-24-17-15-20-10-5-7-12-22(20)27(24)29)14-9-19-32-25-18-16-21-11-6-8-13-23(21)28(25)30(32,3)4/h5-19,31H,1-4H3/b19-9+,26-14+
InChIKeyZXUQFXDXAGTOMI-APSPGZIMSA-N
MW416.57 g/mol
LogP7.85
Rot. Bonds2

About (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole

(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole (PubChem CID 142946847) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole.

Molecular Properties

Compound Name(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole
PubChem CID142946847
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole
SMILESCC1(C)/C(=C\C=C\N2c3ccc4ccccc4c3C2(C)C)Nc2ccc3ccccc3c21
InChIInChI=1S/C30H28N2/c1-29(2)26(31-24-17-15-20-10-5-7-12-22(20)27(24)29)14-9-19-32-25-18-16-21-11-6-8-13-23(21)28(25)30(32,3)4/h5-19,31H,1-4H3/b19-9+,26-14+
InChIKeyZXUQFXDXAGTOMI-APSPGZIMSA-N
XLogP7.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E,3Z)-3-(1,1-dimethyl-3H-benzo[e]indol-2-ylidene)prop-1-enyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 59032537
(2E)-2-[(E)-3-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole
CID 90345740
(2Z)-2-[(E)-3-(1,1-dimethyl-2,3-dihydrobenzo[e]indol-2-yl)prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole
CID 163535578
2-[(E,6Z)-6-(1,1-dimethyl-3H-benzo[e]indol-2-ylidene)-2,5,5-trimethylhex-3-en-2-yl]-1,1-dimethylbenzo[e]indole
CID 144807194
(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
CID 21138647
3-[(1,1-dimethyl-3H-benzo[e]indol-2-ylidene)methyl]-5-[(1,1-dimethylbenzo[e]indol-2-yl)methylidene]-4-hydroxycyclopent-3-ene-1,2-dione
CID 70797729
(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
CID 7689726
(1E,3E)-1,3-bis(1,1,3-trimethylbenzo[e]indol-2-ylidene)propan-2-one
CID 58705042
2-[(E,3Z)-3-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 20659161
(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)-N-methylethanethioamide
CID 2348654
(2E)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole chloride
CID 167312755
3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid
CID 54674344

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole?
The IUPAC name of (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole (CID 142946847) is (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole.
What is the SMILES notation for (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole?
The canonical SMILES for (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole is CC1(C)/C(=C\C=C\N2c3ccc4ccccc4c3C2(C)C)Nc2ccc3ccccc3c21.
What is the InChIKey of (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole?
The InChIKey is ZXUQFXDXAGTOMI-APSPGZIMSA-N. The full InChI is InChI=1S/C30H28N2/c1-29(2)26(31-24-17-15-20-10-5-7-12-22(20)27(24)29)14-9-19-32-25-18-16-21-11-6-8-13-23(21)28(25)30(32,3)4/h5-19,31H,1-4H3/b19-9+,26-14+.
What are the key properties of (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole?
(2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole has a molecular weight of 416.57 g/mol, XLogP of 7.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-(1,1-dimethylnaphtho[2,1-b]azet-2-yl)prop-2-enylidene]-1,1-dimethyl-3H-benzo[e]indole is sourced from PubChem (CID 142946847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).