10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole

C42H43N5 — CID 153088892

IUPAC10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole
SMILESC1=CC2=CC=C(N3C4C=CC(C5=CC=C(C6=CC7CCC=NC7C7=C6CCC=N7)CN5)=CC4C4C5=C(C=CC43)CCCC5)NC2C=C1
InChIInChI=1S/C42H43N5/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42/h2,4,8,12-24,29,34,36-38,40-41,45-46H,1,3,5-7,9-11,25H2
InChIKeyVOTGGDMTSAHJAK-UHFFFAOYSA-N
MW617.84 g/mol
LogP7.40
Rot. Bonds3

About 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole

10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole (PubChem CID 153088892) has the molecular formula C42H43N5 and a molecular weight of 617.84 g/mol. Its IUPAC name is 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole.

Molecular Properties

Compound Name10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole
PubChem CID153088892
Molecular FormulaC42H43N5
Molecular Weight617.84 g/mol
Exact Mass617.35
IUPAC Name10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole
SMILESC1=CC2=CC=C(N3C4C=CC(C5=CC=C(C6=CC7CCC=NC7C7=C6CCC=N7)CN5)=CC4C4C5=C(C=CC43)CCCC5)NC2C=C1
InChIInChI=1S/C42H43N5/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42/h2,4,8,12-24,29,34,36-38,40-41,45-46H,1,3,5-7,9-11,25H2
InChIKeyVOTGGDMTSAHJAK-UHFFFAOYSA-N
XLogP7.40
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole?
The IUPAC name of 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole (CID 153088892) is 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole.
What is the SMILES notation for 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole?
The canonical SMILES for 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole is C1=CC2=CC=C(N3C4C=CC(C5=CC=C(C6=CC7CCC=NC7C7=C6CCC=N7)CN5)=CC4C4C5=C(C=CC43)CCCC5)NC2C=C1.
What is the InChIKey of 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole?
The InChIKey is VOTGGDMTSAHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N5/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42/h2,4,8,12-24,29,34,36-38,40-41,45-46H,1,3,5-7,9-11,25H2.
What are the key properties of 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole?
10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole has a molecular weight of 617.84 g/mol, XLogP of 7.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3,4,6a,7,8,10a-hexahydro-1,10-phenanthrolin-5-yl)-1,2-dihydropyridin-6-yl]-7-(1,8a-dihydroquinolin-2-yl)-1,2,3,4,6a,7a,11a,11b-octahydrobenzo[c]carbazole is sourced from PubChem (CID 153088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).