3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline

C50H44N2 — CID 166905637

IUPAC3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline
SMILESCC1C=CC=C2C(C3=CC=C4C=CCCC4C3)=c3ccc(C4=CC=C(c5cnc6c(c5)C=CCC6)N(C)C4)cc3=C(c3ccc4ccccc4c3)C21
InChIInChI=1S/C50H44N2/c1-32-10-9-16-44-48(32)50(40-21-19-34-12-4-6-14-36(34)27-40)45-29-37(22-24-43(45)49(44)39-20-18-33-11-3-5-13-35(33)26-39)41-23-25-47(52(2)31-41)42-28-38-15-7-8-17-46(38)51-30-42/h3-4,6-7,9-12,14-16,18-25,27-30,32,35,48H,5,8,13,17,26,31H2,1-2H3
InChIKeyNOBKTYIWCQXQDR-UHFFFAOYSA-N
MW672.92 g/mol
LogP9.90
Rot. Bonds4

About 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline

3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline (PubChem CID 166905637) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline.

Molecular Properties

Compound Name3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline
PubChem CID166905637
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline
SMILESCC1C=CC=C2C(C3=CC=C4C=CCCC4C3)=c3ccc(C4=CC=C(c5cnc6c(c5)C=CCC6)N(C)C4)cc3=C(c3ccc4ccccc4c3)C21
InChIInChI=1S/C50H44N2/c1-32-10-9-16-44-48(32)50(40-21-19-34-12-4-6-14-36(34)27-40)45-29-37(22-24-43(45)49(44)39-20-18-33-11-3-5-13-35(33)26-39)41-23-25-47(52(2)31-41)42-28-38-15-7-8-17-46(38)51-30-42/h3-4,6-7,9-12,14-16,18-25,27-30,32,35,48H,5,8,13,17,26,31H2,1-2H3
InChIKeyNOBKTYIWCQXQDR-UHFFFAOYSA-N
XLogP9.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline with MolForge

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Related Compounds

9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-[4-[10-(7,8-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123757413
N-cyclohexa-1,3-dien-1-yl-4-(5-methyl-9,10-diphenyl-5,10a-dihydroanthracen-2-yl)-N-phenylaniline
CID 155396357
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771
6,12-bis[4-(1,7,8,8a-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-4a,4b,5,12a-tetrahydrochrysene
CID 123238972
3-[6-[(4S,10aS)-4,5-dimethyl-10-phenyl-3,4,5,10a-tetrahydroanthracen-9-yl]-7,8-dihydronaphthalen-2-yl]-5-pyridin-4-ylpyridine
CID 174026097
3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
CID 170044712
2-[4-(2,9-dinaphthalen-2-yl-12-tetracyclo[8.4.0.03,8.04,7]tetradeca-1,3,9,11,13-pentaenyl)phenyl]-1-phenylbenzimidazole
CID 155085159
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
4-(4b,5-dihydrophenanthren-9-yl)-2-cyclohexa-1,5-dien-1-yl-6-[3-(6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,3,4-tetrahydropyrimidine
CID 145377705
10-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-9-(4-naphthalen-2-ylphenyl)-2-phenyl-4a,9a-dihydroanthracene
CID 90728902
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran
CID 145280769

Frequently Asked Questions

What is the IUPAC name of 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline?
The IUPAC name of 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline (CID 166905637) is 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline.
What is the SMILES notation for 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline?
The canonical SMILES for 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline is CC1C=CC=C2C(C3=CC=C4C=CCCC4C3)=c3ccc(C4=CC=C(c5cnc6c(c5)C=CCC6)N(C)C4)cc3=C(c3ccc4ccccc4c3)C21.
What is the InChIKey of 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline?
The InChIKey is NOBKTYIWCQXQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-32-10-9-16-44-48(32)50(40-21-19-34-12-4-6-14-36(34)27-40)45-29-37(22-24-43(45)49(44)39-20-18-33-11-3-5-13-35(33)26-39)41-23-25-47(52(2)31-41)42-28-38-15-7-8-17-46(38)51-30-42/h3-4,6-7,9-12,14-16,18-25,27-30,32,35,48H,5,8,13,17,26,31H2,1-2H3.
What are the key properties of 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline?
3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline has a molecular weight of 672.92 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-8-methyl-9-naphthalen-2-yl-8,8a-dihydroanthracen-2-yl]-1-methyl-2H-pyridin-6-yl]-7,8-dihydroquinoline is sourced from PubChem (CID 166905637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).