(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]

C26H22N2O — CID 2246263

IUPAC(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc13)O2
InChIInChI=1S/C26H22N2O/c1-25(2)21-10-6-7-11-22(21)28(3)26(25)16-27-24-20-15-18-9-5-4-8-17(18)14-19(20)12-13-23(24)29-26/h4-16H,1-3H3/t26-/m0/s1
InChIKeySYDHXNUFWICOGV-SANMLTNESA-N
MW378.48 g/mol
LogP6.21
Rot. Bonds

About (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]

(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine] (PubChem CID 2246263) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine].

Molecular Properties

Compound Name(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
PubChem CID2246263
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc13)O2
InChIInChI=1S/C26H22N2O/c1-25(2)21-10-6-7-11-22(21)28(3)26(25)16-27-24-20-15-18-9-5-4-8-17(18)14-19(20)12-13-23(24)29-26/h4-16H,1-3H3/t26-/m0/s1
InChIKeySYDHXNUFWICOGV-SANMLTNESA-N
XLogP6.21
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 4676098
(2R)-1-hexadecyl-3,3-dimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 98326474
1',3',3'-trimethyl-8-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 18622933
1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 14793803
1,2-di(ethoxy)ethane;8,9-di(ethoxy)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole];bis(yttrium)
CID 134842896
methyl 1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-8-carboxylate
CID 58338888
(2R)-1',3',3'-trimethylspiro[benzo[g][1,4]benzoxazine-2,2'-indole]
CID 102054022
9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 139758445
1-O-ethyl 4-O-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl) butanedioate
CID 58309304
6'-(bromomethyl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 44540727
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847
(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl) octadecanoate
CID 58912271

Frequently Asked Questions

What is the IUPAC name of (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]?
The IUPAC name of (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine] (CID 2246263) is (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine].
What is the SMILES notation for (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]?
The canonical SMILES for (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine] is CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc13)O2.
What is the InChIKey of (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]?
The InChIKey is SYDHXNUFWICOGV-SANMLTNESA-N. The full InChI is InChI=1S/C26H22N2O/c1-25(2)21-10-6-7-11-22(21)28(3)26(25)16-27-24-20-15-18-9-5-4-8-17(18)14-19(20)12-13-23(24)29-26/h4-16H,1-3H3/t26-/m0/s1.
What are the key properties of (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]?
(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine] has a molecular weight of 378.48 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine] is sourced from PubChem (CID 2246263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).