12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole

C45H37N3O4 — CID 70992332

IUPAC12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCOc1cc(OC)cc(C2=CC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=CC(c3cc(OC)cc(OC)c3)N2)c1
InChIInChI=1S/C45H37N3O4/c1-49-32-20-28(21-33(26-32)50-2)40-24-31(25-41(46-40)29-22-34(51-3)27-35(23-29)52-4)48-43-17-11-9-15-37(43)39-19-18-38-36-14-8-10-16-42(36)47(44(38)45(39)48)30-12-6-5-7-13-30/h5-27,40,46H,1-4H3
InChIKeyWUZOOLYONYQSOL-UHFFFAOYSA-N
MW683.81 g/mol
LogP10.15
Rot. Bonds8

About 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole

12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 70992332) has the molecular formula C45H37N3O4 and a molecular weight of 683.81 g/mol. Its IUPAC name is 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID70992332
Molecular FormulaC45H37N3O4
Molecular Weight683.81 g/mol
Exact Mass683.28
IUPAC Name12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCOc1cc(OC)cc(C2=CC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=CC(c3cc(OC)cc(OC)c3)N2)c1
InChIInChI=1S/C45H37N3O4/c1-49-32-20-28(21-33(26-32)50-2)40-24-31(25-41(46-40)29-22-34(51-3)27-35(23-29)52-4)48-43-17-11-9-15-37(43)39-19-18-38-36-14-8-10-16-42(36)47(44(38)45(39)48)30-12-6-5-7-13-30/h5-27,40,46H,1-4H3
InChIKeyWUZOOLYONYQSOL-UHFFFAOYSA-N
XLogP10.15
TPSA58.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole (CID 70992332) is 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole is COc1cc(OC)cc(C2=CC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=CC(c3cc(OC)cc(OC)c3)N2)c1.
What is the InChIKey of 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is WUZOOLYONYQSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3O4/c1-49-32-20-28(21-33(26-32)50-2)40-24-31(25-41(46-40)29-22-34(51-3)27-35(23-29)52-4)48-43-17-11-9-15-37(43)39-19-18-38-36-14-8-10-16-42(36)47(44(38)45(39)48)30-12-6-5-7-13-30/h5-27,40,46H,1-4H3.
What are the key properties of 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 683.81 g/mol, XLogP of 10.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2,6-bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 70992332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).