7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

C35H25N3 — CID 154591761

IUPAC7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESCc1nc2c(-c3ccc(-c4c5c(cc6ccccc46)CCC=C5)nc3)ccc3c(C)nc4cccc1c4c32
InChIInChI=1S/C35H25N3/c1-20-26-15-16-29(35-34(26)33-25(21(2)38-35)12-7-13-31(33)37-20)24-14-17-30(36-19-24)32-27-10-5-3-8-22(27)18-23-9-4-6-11-28(23)32/h3,5-8,10-19H,4,9H2,1-2H3
InChIKeyCALPFSUPYOJRGS-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.83
Rot. Bonds2

About 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (PubChem CID 154591761) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.

Molecular Properties

Compound Name7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
PubChem CID154591761
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESCc1nc2c(-c3ccc(-c4c5c(cc6ccccc46)CCC=C5)nc3)ccc3c(C)nc4cccc1c4c32
InChIInChI=1S/C35H25N3/c1-20-26-15-16-29(35-34(26)33-25(21(2)38-35)12-7-13-31(33)37-20)24-14-17-30(36-19-24)32-27-10-5-3-8-22(27)18-23-9-4-6-11-28(23)32/h3,5-8,10-19H,4,9H2,1-2H3
InChIKeyCALPFSUPYOJRGS-UHFFFAOYSA-N
XLogP8.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene with MolForge

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Related Compounds

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DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472
5,6-Dimethyl-1,10-phenanthroline
CID 76357
4-(4-Dimethylaminostyryl)quinoline
CID 668053

Frequently Asked Questions

What is the IUPAC name of 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The IUPAC name of 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (CID 154591761) is 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.
What is the SMILES notation for 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The canonical SMILES for 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is Cc1nc2c(-c3ccc(-c4c5c(cc6ccccc46)CCC=C5)nc3)ccc3c(C)nc4cccc1c4c32.
What is the InChIKey of 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The InChIKey is CALPFSUPYOJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-20-26-15-16-29(35-34(26)33-25(21(2)38-35)12-7-13-31(33)37-20)24-14-17-30(36-19-24)32-27-10-5-3-8-22(27)18-23-9-4-6-11-28(23)32/h3,5-8,10-19H,4,9H2,1-2H3.
What are the key properties of 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene has a molecular weight of 487.61 g/mol, XLogP of 8.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is sourced from PubChem (CID 154591761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).