5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol

C41H39N3O — CID 136600902

IUPAC5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol
SMILESCCCCC1(CCCC)c2ccc(-c3cccc(N(c4ccccc4)c4cc5ccccc5cn4)c3)nc2-c2c(O)cccc21
InChIInChI=1S/C41H39N3O/c1-3-5-24-41(25-6-4-2)34-20-13-21-37(45)39(34)40-35(41)22-23-36(43-40)30-16-12-19-33(26-30)44(32-17-8-7-9-18-32)38-27-29-14-10-11-15-31(29)28-42-38/h7-23,26-28,45H,3-6,24-25H2,1-2H3
InChIKeyYGFYGEJCPZWPDV-UHFFFAOYSA-N
MW589.78 g/mol
LogP11.12
Rot. Bonds10

About 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol

5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol (PubChem CID 136600902) has the molecular formula C41H39N3O and a molecular weight of 589.78 g/mol. Its IUPAC name is 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol.

Molecular Properties

Compound Name5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol
PubChem CID136600902
Molecular FormulaC41H39N3O
Molecular Weight589.78 g/mol
Exact Mass589.31
IUPAC Name5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol
SMILESCCCCC1(CCCC)c2ccc(-c3cccc(N(c4ccccc4)c4cc5ccccc5cn4)c3)nc2-c2c(O)cccc21
InChIInChI=1S/C41H39N3O/c1-3-5-24-41(25-6-4-2)34-20-13-21-37(45)39(34)40-35(41)22-23-36(43-40)30-16-12-19-33(26-30)44(32-17-8-7-9-18-32)38-27-29-14-10-11-15-31(29)28-42-38/h7-23,26-28,45H,3-6,24-25H2,1-2H3
InChIKeyYGFYGEJCPZWPDV-UHFFFAOYSA-N
XLogP11.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 511.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol with MolForge

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Related Compounds

N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine
CID 153499217
2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
CID 166569488
N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
2,7-ditert-butyl-2'-(N-(3,5-ditert-butylphenyl)-3-pyridin-2-ylanilino)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
CID 166569530
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol
CID 122216855
2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
CID 58058931
N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
CID 164822371
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
15,15-dioctyl-3-N,3-N,10-N,10-N-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 59431075
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol?
The IUPAC name of 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol (CID 136600902) is 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol.
What is the SMILES notation for 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol?
The canonical SMILES for 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol is CCCCC1(CCCC)c2ccc(-c3cccc(N(c4ccccc4)c4cc5ccccc5cn4)c3)nc2-c2c(O)cccc21.
What is the InChIKey of 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol?
The InChIKey is YGFYGEJCPZWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N3O/c1-3-5-24-41(25-6-4-2)34-20-13-21-37(45)39(34)40-35(41)22-23-36(43-40)30-16-12-19-33(26-30)44(32-17-8-7-9-18-32)38-27-29-14-10-11-15-31(29)28-42-38/h7-23,26-28,45H,3-6,24-25H2,1-2H3.
What are the key properties of 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol?
5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol has a molecular weight of 589.78 g/mol, XLogP of 11.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-2-[3-(N-isoquinolin-3-ylanilino)phenyl]indeno[1,2-b]pyridin-9-ol is sourced from PubChem (CID 136600902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).