10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol

C41H49NO — CID 58058929

IUPAC10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol
SMILESCCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc3c(cc21)C(CCCC)(CCCC)c1cccc(O)c1-3
InChIInChI=1S/C41H49NO/c1-5-9-21-40(22-10-6-2)33-20-19-29(37-17-13-14-25-42-37)26-30(33)31-27-32-36(28-35(31)40)41(23-11-7-3,24-12-8-4)34-16-15-18-38(43)39(32)34/h13-20,25-28,43H,5-12,21-24H2,1-4H3
InChIKeyMKPMFJLKBYWOGV-UHFFFAOYSA-N
MW571.85 g/mol
LogP11.75
Rot. Bonds13

About 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol

10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol (PubChem CID 58058929) has the molecular formula C41H49NO and a molecular weight of 571.85 g/mol. Its IUPAC name is 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol.

Molecular Properties

Compound Name10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol
PubChem CID58058929
Molecular FormulaC41H49NO
Molecular Weight571.85 g/mol
Exact Mass571.38
IUPAC Name10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol
SMILESCCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc3c(cc21)C(CCCC)(CCCC)c1cccc(O)c1-3
InChIInChI=1S/C41H49NO/c1-5-9-21-40(22-10-6-2)33-20-19-29(37-17-13-14-25-42-37)26-30(33)31-27-32-36(28-35(31)40)41(23-11-7-3,24-12-8-4)34-16-15-18-38(43)39(32)34/h13-20,25-28,43H,5-12,21-24H2,1-4H3
InChIKeyMKPMFJLKBYWOGV-UHFFFAOYSA-N
XLogP11.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.85
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol?
The IUPAC name of 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol (CID 58058929) is 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol.
What is the SMILES notation for 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol?
The canonical SMILES for 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol is CCCCC1(CCCC)c2ccc(-c3ccccn3)cc2-c2cc3c(cc21)C(CCCC)(CCCC)c1cccc(O)c1-3.
What is the InChIKey of 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol?
The InChIKey is MKPMFJLKBYWOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49NO/c1-5-9-21-40(22-10-6-2)33-20-19-29(37-17-13-14-25-42-37)26-30(33)31-27-32-36(28-35(31)40)41(23-11-7-3,24-12-8-4)34-16-15-18-38(43)39(32)34/h13-20,25-28,43H,5-12,21-24H2,1-4H3.
What are the key properties of 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol?
10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol has a molecular weight of 571.85 g/mol, XLogP of 11.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12,12-tetrabutyl-7-pyridin-2-ylindeno[2,1-b]fluoren-4-ol is sourced from PubChem (CID 58058929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).