1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline

C37H28N2 — CID 134218105

IUPAC1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline
SMILESCC1(C)c2cc(-c3ccc(-c4nccc5ccccc45)nc3)ccc2-c2ccc3c(c21)CCc1ccccc1-3
InChIInChI=1S/C37H28N2/c1-37(2)33-21-25(26-13-18-34(39-22-26)36-28-10-6-4-8-24(28)19-20-38-36)12-14-30(33)32-17-16-29-27-9-5-3-7-23(27)11-15-31(29)35(32)37/h3-10,12-14,16-22H,11,15H2,1-2H3
InChIKeySRZMAXQAHYNZIQ-UHFFFAOYSA-N
MW500.65 g/mol
LogP9.04
Rot. Bonds2

About 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline

1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline (PubChem CID 134218105) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline
PubChem CID134218105
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline
SMILESCC1(C)c2cc(-c3ccc(-c4nccc5ccccc45)nc3)ccc2-c2ccc3c(c21)CCc1ccccc1-3
InChIInChI=1S/C37H28N2/c1-37(2)33-21-25(26-13-18-34(39-22-26)36-28-10-6-4-8-24(28)19-20-38-36)12-14-30(33)32-17-16-29-27-9-5-3-7-23(27)11-15-31(29)35(32)37/h3-10,12-14,16-22H,11,15H2,1-2H3
InChIKeySRZMAXQAHYNZIQ-UHFFFAOYSA-N
XLogP9.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline with MolForge

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Related Compounds

1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
1-[3-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline
CID 122427216
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
1-[5-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]isoquinoline
CID 118372265
1-[6-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 159179777
10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine
CID 157380076
1-[6-[5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 163613760
1-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6-phenyl-1,3,5-triazin-2-yl]isoquinoline
CID 134218132
1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 164817239
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552

Frequently Asked Questions

What is the IUPAC name of 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline?
The IUPAC name of 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline (CID 134218105) is 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline?
The canonical SMILES for 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline is CC1(C)c2cc(-c3ccc(-c4nccc5ccccc45)nc3)ccc2-c2ccc3c(c21)CCc1ccccc1-3.
What is the InChIKey of 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline?
The InChIKey is SRZMAXQAHYNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-37(2)33-21-25(26-13-18-34(39-22-26)36-28-10-6-4-8-24(28)19-20-38-36)12-14-30(33)32-17-16-29-27-9-5-3-7-23(27)11-15-31(29)35(32)37/h3-10,12-14,16-22H,11,15H2,1-2H3.
What are the key properties of 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline?
1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline has a molecular weight of 500.65 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(11,11-dimethyl-12,13-dihydroindeno[2,1-a]phenanthren-9-yl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 134218105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).