6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole

C22H23N — CID 138599042

IUPAC6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(C=C(C)C)n(-c2ccccc2)c2cc(C)ccc12
InChIInChI=1S/C22H23N/c1-5-9-19-20-13-12-17(4)15-22(20)23(21(19)14-16(2)3)18-10-7-6-8-11-18/h5-15H,1-4H3/b9-5-
InChIKeyJVOQZWYBWDPTCO-UITAMQMPSA-N
MW301.43 g/mol
LogP6.40
Rot. Bonds3

About 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole

6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole (PubChem CID 138599042) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole
PubChem CID138599042
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(C=C(C)C)n(-c2ccccc2)c2cc(C)ccc12
InChIInChI=1S/C22H23N/c1-5-9-19-20-13-12-17(4)15-22(20)23(21(19)14-16(2)3)18-10-7-6-8-11-18/h5-15H,1-4H3/b9-5-
InChIKeyJVOQZWYBWDPTCO-UITAMQMPSA-N
XLogP6.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
2-methyl-9-phenylcarbazole
CID 59552741
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
CID 146532616
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
CID 122678080
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The IUPAC name of 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole (CID 138599042) is 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole is C/C=C\c1c(C=C(C)C)n(-c2ccccc2)c2cc(C)ccc12.
What is the InChIKey of 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The InChIKey is JVOQZWYBWDPTCO-UITAMQMPSA-N. The full InChI is InChI=1S/C22H23N/c1-5-9-19-20-13-12-17(4)15-22(20)23(21(19)14-16(2)3)18-10-7-6-8-11-18/h5-15H,1-4H3/b9-5-.
What are the key properties of 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole?
6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole has a molecular weight of 301.43 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 138599042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).