13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C45H30N2 — CID 163838453

IUPAC13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESC1=c2ccccc2=CC(c2ccc3nc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4n3c2)C1
InChIInChI=1S/C45H30N2/c1-4-12-32-25-35(20-17-29(32)9-1)38-23-24-41-46-44-42(36-21-18-30-10-2-5-13-33(30)26-36)39-15-7-8-16-40(39)43(45(44)47(41)28-38)37-22-19-31-11-3-6-14-34(31)27-37/h1-19,21-28,35H,20H2
InChIKeyOJVMTVSMRUVPHR-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.03
Rot. Bonds3

About 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 163838453) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Name13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID163838453
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESC1=c2ccccc2=CC(c2ccc3nc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4n3c2)C1
InChIInChI=1S/C45H30N2/c1-4-12-32-25-35(20-17-29(32)9-1)38-23-24-41-46-44-42(36-21-18-30-10-2-5-13-33(30)26-36)39-15-7-8-16-40(39)43(45(44)47(41)28-38)37-22-19-31-11-3-6-14-34(31)27-37/h1-19,21-28,35H,20H2
InChIKeyOJVMTVSMRUVPHR-UHFFFAOYSA-N
XLogP10.03
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 59211467
2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole
CID 67729186
(3Z,5Z)-6-[10-[8-[3-(2,3-dihydronaphthalen-2-yl)-5-naphthalen-2-ylphenyl]naphthalen-2-yl]anthracen-9-yl]hepta-1,3,5-triene-2,3,4,5-tetrol
CID 144837448
3-cyclohepta-1,4,6-trien-1-yl-2-methyl-4,9-dinaphthalen-2-ylbenzo[f]benzimidazole
CID 143396383
10-[3-[6-(6-carbazol-9-yl-2,3-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075826
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120
2,9-bis[4-[(E)-2-phenylethenyl]phenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121907
2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol
CID 143933927
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 163838453) is 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is C1=c2ccccc2=CC(c2ccc3nc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4n3c2)C1.
What is the InChIKey of 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is OJVMTVSMRUVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-12-32-25-35(20-17-29(32)9-1)38-23-24-41-46-44-42(36-21-18-30-10-2-5-13-33(30)26-36)39-15-7-8-16-40(39)43(45(44)47(41)28-38)37-22-19-31-11-3-6-14-34(31)27-37/h1-19,21-28,35H,20H2.
What are the key properties of 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 598.75 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 163838453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).