4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C24H14BrN — CID 141481966

IUPAC4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2cccnc21
InChIInChI=1S/C24H14BrN/c25-21-13-5-12-20-22(21)17-8-2-4-11-19(17)24(20)18-10-3-1-7-15(18)16-9-6-14-26-23(16)24/h1-14H
InChIKeyYVCIQKJBMZIVHL-UHFFFAOYSA-N
MW396.29 g/mol
LogP6.19
Rot. Bonds

About 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]

4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 141481966) has the molecular formula C24H14BrN and a molecular weight of 396.29 g/mol. Its IUPAC name is 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID141481966
Molecular FormulaC24H14BrN
Molecular Weight396.29 g/mol
Exact Mass395.03
IUPAC Name4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2cccnc21
InChIInChI=1S/C24H14BrN/c25-21-13-5-12-20-22(21)17-8-2-4-11-19(17)24(20)18-10-3-1-7-15(18)16-9-6-14-26-23(16)24/h1-14H
InChIKeyYVCIQKJBMZIVHL-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
CID 138579740
CID 138579740
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 153406412

Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 141481966) is 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine] is Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2cccnc21.
What is the InChIKey of 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is YVCIQKJBMZIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrN/c25-21-13-5-12-20-22(21)17-8-2-4-11-19(17)24(20)18-10-3-1-7-15(18)16-9-6-14-26-23(16)24/h1-14H.
What are the key properties of 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 396.29 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 141481966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).