11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

C46H30O — CID 171452821

IUPAC11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3c4c(c(-c5cccc(-c6cccc7oc8ccc9ccccc9c8c67)c5)c5ccccc35)C=CCC4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C46H30O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)35-23-11-25-41-46(35)45-34-18-4-2-13-30(34)26-27-42(45)47-41/h1-7,9-21,23-28H,8,22H2/i1D,3D,10D,12D,14D,17D,24D
InChIKeyZZSVOKLJCUHICO-IMXJJUTQSA-N
MW605.79 g/mol
LogP13.01
Rot. Bonds3

About 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 171452821) has the molecular formula C46H30O and a molecular weight of 605.79 g/mol. Its IUPAC name is 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID171452821
Molecular FormulaC46H30O
Molecular Weight605.79 g/mol
Exact Mass605.27
IUPAC Name11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3c4c(c(-c5cccc(-c6cccc7oc8ccc9ccccc9c8c67)c5)c5ccccc35)C=CCC4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C46H30O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)35-23-11-25-41-46(35)45-34-18-4-2-13-30(34)26-27-42(45)47-41/h1-7,9-21,23-28H,8,22H2/i1D,3D,10D,12D,14D,17D,24D
InChIKeyZZSVOKLJCUHICO-IMXJJUTQSA-N
XLogP13.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran 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

11-[8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164830897
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831080
11-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164831142
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164830768
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
11-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831072
1-[10-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 170664195
11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenanthren-4-ylphenyl)anthracen-9-yl]dibenzofuran
CID 153474851
1-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170653606
10-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164830874

Frequently Asked Questions

What is the IUPAC name of 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (CID 171452821) is 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3c4c(c(-c5cccc(-c6cccc7oc8ccc9ccccc9c8c67)c5)c5ccccc35)C=CCC4)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is ZZSVOKLJCUHICO-IMXJJUTQSA-N. The full InChI is InChI=1S/C46H30O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)35-23-11-25-41-46(35)45-34-18-4-2-13-30(34)26-27-42(45)47-41/h1-7,9-21,23-28H,8,22H2/i1D,3D,10D,12D,14D,17D,24D.
What are the key properties of 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?
11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 605.79 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 171452821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).