spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]

C27H17N — CID 126652948

IUPACspiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
SMILESc1ccc2c(c1)CC1=C2C2(c3ccccc31)c1ccccc1-c1ncccc12
InChIInChI=1S/C27H17N/c1-2-9-18-17(8-1)16-21-19-10-3-5-12-22(19)27(25(18)21)23-13-6-4-11-20(23)26-24(27)14-7-15-28-26/h1-15H,16H2
InChIKeyBMOYJTBRSSEDQO-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.88
Rot. Bonds

About spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]

spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine] (PubChem CID 126652948) has the molecular formula C27H17N and a molecular weight of 355.44 g/mol. Its IUPAC name is spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine].

Molecular Properties

Compound Namespiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
PubChem CID126652948
Molecular FormulaC27H17N
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Namespiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
SMILESc1ccc2c(c1)CC1=C2C2(c3ccccc31)c1ccccc1-c1ncccc12
InChIInChI=1S/C27H17N/c1-2-9-18-17(8-1)16-21-19-10-3-5-12-22(19)27(25(18)21)23-13-6-4-11-20(23)26-24(27)14-7-15-28-26/h1-15H,16H2
InChIKeyBMOYJTBRSSEDQO-UHFFFAOYSA-N
XLogP5.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]
CID 167529980
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
CID 122594196
6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
CID 140892102
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
CID 101391435
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
CID 160581991

Frequently Asked Questions

What is the IUPAC name of spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]?
The IUPAC name of spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine] (CID 126652948) is spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine].
What is the SMILES notation for spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]?
The canonical SMILES for spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine] is c1ccc2c(c1)CC1=C2C2(c3ccccc31)c1ccccc1-c1ncccc12.
What is the InChIKey of spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]?
The InChIKey is BMOYJTBRSSEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N/c1-2-9-18-17(8-1)16-21-19-10-3-5-12-22(19)27(25(18)21)23-13-6-4-11-20(23)26-24(27)14-7-15-28-26/h1-15H,16H2.
What are the key properties of spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]?
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine] has a molecular weight of 355.44 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 126652948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).