2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine

C41H32N2 — CID 88554347

IUPAC2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine
SMILESCc1cc(C2=NC=C(c3ccccn3)CC2)ccc1C1=c2ccccc2=C(c2ccc3ccccc3c2)C2C=CC=CC12
InChIInChI=1S/C41H32N2/c1-27-24-30(39-22-20-32(26-43-39)38-16-8-9-23-42-38)19-21-33(27)41-36-14-6-4-12-34(36)40(35-13-5-7-15-37(35)41)31-18-17-28-10-2-3-11-29(28)25-31/h2-19,21,23-26,34,36H,20,22H2,1H3
InChIKeyFNFYDWDXSVPYCL-UHFFFAOYSA-N
MW552.72 g/mol
LogP7.94
Rot. Bonds4

About 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine

2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine (PubChem CID 88554347) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine
PubChem CID88554347
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine
SMILESCc1cc(C2=NC=C(c3ccccn3)CC2)ccc1C1=c2ccccc2=C(c2ccc3ccccc3c2)C2C=CC=CC12
InChIInChI=1S/C41H32N2/c1-27-24-30(39-22-20-32(26-43-39)38-16-8-9-23-42-38)19-21-33(27)41-36-14-6-4-12-34(36)40(35-13-5-7-15-37(35)41)31-18-17-28-10-2-3-11-29(28)25-31/h2-19,21,23-26,34,36H,20,22H2,1H3
InChIKeyFNFYDWDXSVPYCL-UHFFFAOYSA-N
XLogP7.94
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine?
The IUPAC name of 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine (CID 88554347) is 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine.
What is the SMILES notation for 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine?
The canonical SMILES for 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine is Cc1cc(C2=NC=C(c3ccccn3)CC2)ccc1C1=c2ccccc2=C(c2ccc3ccccc3c2)C2C=CC=CC12.
What is the InChIKey of 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine?
The InChIKey is FNFYDWDXSVPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-27-24-30(39-22-20-32(26-43-39)38-16-8-9-23-42-38)19-21-33(27)41-36-14-6-4-12-34(36)40(35-13-5-7-15-37(35)41)31-18-17-28-10-2-3-11-29(28)25-31/h2-19,21,23-26,34,36H,20,22H2,1H3.
What are the key properties of 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine?
2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine has a molecular weight of 552.72 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-4-(10-naphthalen-2-yl-4a,9a-dihydroanthracen-9-yl)phenyl]-3,4-dihydropyridin-5-yl]pyridine is sourced from PubChem (CID 88554347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).