1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]

C27H23NO — CID 19084395

IUPAC1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3c1ccc1ccccc13)O2
InChIInChI=1S/C27H23NO/c1-26(2)23-10-6-7-11-24(23)28(3)27(26)17-16-22-21-13-12-18-8-4-5-9-19(18)20(21)14-15-25(22)29-27/h4-17H,1-3H3
InChIKeyVQELJCAWLVWXII-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.52
Rot. Bonds

About 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]

1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene] (PubChem CID 19084395) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene].

Molecular Properties

Compound Name1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
PubChem CID19084395
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3c1ccc1ccccc13)O2
InChIInChI=1S/C27H23NO/c1-26(2)23-10-6-7-11-24(23)28(3)27(26)17-16-22-21-13-12-18-8-4-5-9-19(18)20(21)14-15-25(22)29-27/h4-17H,1-3H3
InChIKeyVQELJCAWLVWXII-UHFFFAOYSA-N
XLogP6.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 6581587
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092
4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 19084237
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
CID 102430118
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)nonadecanoic acid
CID 71216292
(3S)-3',3'-dimethyl-8-nitro-1'-phenylspiro[benzo[f]chromene-3,2'-indole]
CID 7230761
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]?
The IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene] (CID 19084395) is 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene].
What is the SMILES notation for 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]?
The canonical SMILES for 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene] is CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3c1ccc1ccccc13)O2.
What is the InChIKey of 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]?
The InChIKey is VQELJCAWLVWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-26(2)23-10-6-7-11-24(23)28(3)27(26)17-16-22-21-13-12-18-8-4-5-9-19(18)20(21)14-15-25(22)29-27/h4-17H,1-3H3.
What are the key properties of 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]?
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene] has a molecular weight of 377.49 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene] is sourced from PubChem (CID 19084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).