5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]

C25H29N — CID 153467800

IUPAC5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]
SMILESCCn1c2c(c3cc(C)ccc31)C1(c3ccccc3-2)C(C)(C)CC1(C)C
InChIInChI=1S/C25H29N/c1-7-26-20-13-12-16(2)14-18(20)21-22(26)17-10-8-9-11-19(17)25(21)23(3,4)15-24(25,5)6/h8-14H,7,15H2,1-6H3
InChIKeyBVMCWKFGKXJHJJ-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.69
Rot. Bonds1

About 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]

5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole] (PubChem CID 153467800) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole].

Molecular Properties

Compound Name5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]
PubChem CID153467800
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]
SMILESCCn1c2c(c3cc(C)ccc31)C1(c3ccccc3-2)C(C)(C)CC1(C)C
InChIInChI=1S/C25H29N/c1-7-26-20-13-12-16(2)14-18(20)21-22(26)17-10-8-9-11-19(17)25(21)23(3,4)15-24(25,5)6/h8-14H,7,15H2,1-6H3
InChIKeyBVMCWKFGKXJHJJ-UHFFFAOYSA-N
XLogP6.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]?
The IUPAC name of 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole] (CID 153467800) is 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole].
What is the SMILES notation for 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]?
The canonical SMILES for 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole] is CCn1c2c(c3cc(C)ccc31)C1(c3ccccc3-2)C(C)(C)CC1(C)C.
What is the InChIKey of 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]?
The InChIKey is BVMCWKFGKXJHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-7-26-20-13-12-16(2)14-18(20)21-22(26)17-10-8-9-11-19(17)25(21)23(3,4)15-24(25,5)6/h8-14H,7,15H2,1-6H3.
What are the key properties of 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole]?
5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole] has a molecular weight of 343.51 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-1,1,3,3,8'-pentamethylspiro[cyclobutane-2,10'-indeno[1,2-b]indole] is sourced from PubChem (CID 153467800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).