8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole

C18H18NP — CID 44726115

IUPAC8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CP(c1ccccc1)CC3
InChIInChI=1S/C18H18NP/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3
InChIKeyMMXPNUHHVMYRLU-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.34
Rot. Bonds1

About 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole

8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole (PubChem CID 44726115) has the molecular formula C18H18NP and a molecular weight of 279.32 g/mol. Its IUPAC name is 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole
PubChem CID44726115
Molecular FormulaC18H18NP
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CP(c1ccccc1)CC3
InChIInChI=1S/C18H18NP/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3
InChIKeyMMXPNUHHVMYRLU-UHFFFAOYSA-N
XLogP4.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68763051
ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 142960260
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
2-benzyl-9-methyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155524557
(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71054565
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
3,6-dimethyl-9H-carbazole
CID 144942624
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135521804

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole?
The IUPAC name of 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole (CID 44726115) is 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole.
What is the SMILES notation for 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole?
The canonical SMILES for 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole is Cc1ccc2[nH]c3c(c2c1)CP(c1ccccc1)CC3.
What is the InChIKey of 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole?
The InChIKey is MMXPNUHHVMYRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NP/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3.
What are the key properties of 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole?
8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole has a molecular weight of 279.32 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole is sourced from PubChem (CID 44726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).