2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C25H24N2 — CID 118011586

IUPAC2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C/c2cccc3ccccc23)CCN(C)C1
InChIInChI=1S/C25H24N2/c1-18-10-11-24-22(16-18)23-17-26(2)14-13-25(23)27(24)15-12-20-8-5-7-19-6-3-4-9-21(19)20/h3-12,15-16H,13-14,17H2,1-2H3/b15-12+
InChIKeyHZMSFAOBAHHZQD-NTCAYCPXSA-N
MW352.48 g/mol
LogP5.72
Rot. Bonds2

About 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 118011586) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID118011586
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C/c2cccc3ccccc23)CCN(C)C1
InChIInChI=1S/C25H24N2/c1-18-10-11-24-22(16-18)23-17-26(2)14-13-25(23)27(24)15-12-20-8-5-7-19-6-3-4-9-21(19)20/h3-12,15-16H,13-14,17H2,1-2H3/b15-12+
InChIKeyHZMSFAOBAHHZQD-NTCAYCPXSA-N
XLogP5.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 118011586) is 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2/C=C/c2cccc3ccccc23)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is HZMSFAOBAHHZQD-NTCAYCPXSA-N. The full InChI is InChI=1S/C25H24N2/c1-18-10-11-24-22(16-18)23-17-26(2)14-13-25(23)27(24)15-12-20-8-5-7-19-6-3-4-9-21(19)20/h3-12,15-16H,13-14,17H2,1-2H3/b15-12+.
What are the key properties of 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 352.48 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 118011586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).