1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C50H31NO2 — CID 166055364

IUPAC1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c([2H])c([2H])c21
InChIInChI=1S/C50H31NO2/c1-2-12-38(13-3-1)51(40-24-27-43-44-26-23-34-10-6-7-14-42(34)50(44)53-48(43)31-40)39-25-28-46-45(30-39)49-41(15-8-16-47(49)52-46)35-20-17-33(18-21-35)37-22-19-32-9-4-5-11-36(32)29-37/h1-31H/i6D,7D,10D,14D,23D,24D,26D,27D,31D
InChIKeyLSTIFOUINSNGRC-KRUZGXGJSA-N
MW686.86 g/mol
LogP14.60
Rot. Bonds5

About 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 166055364) has the molecular formula C50H31NO2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID166055364
Molecular FormulaC50H31NO2
Molecular Weight686.86 g/mol
Exact Mass686.29
IUPAC Name1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c([2H])c([2H])c21
InChIInChI=1S/C50H31NO2/c1-2-12-38(13-3-1)51(40-24-27-43-44-26-23-34-10-6-7-14-42(34)50(44)53-48(43)31-40)39-25-28-46-45(30-39)49-41(15-8-16-47(49)52-46)35-20-17-33(18-21-35)37-22-19-32-9-4-5-11-36(32)29-37/h1-31H/i6D,7D,10D,14D,23D,24D,26D,27D,31D
InChIKeyLSTIFOUINSNGRC-KRUZGXGJSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine with MolForge

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Related Compounds

9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(3-phenylphenyl)aniline
CID 167330067
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylaniline
CID 167331137
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 167330792
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
1,3,4,6,7,8-hexadeuterio-N-(3,4,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;1,3,4,6,7,8-hexadeuterio-N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167689381
4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline
CID 167403025
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 166055364) is 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c2oc2c([2H])c(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c([2H])c([2H])c21.
What is the InChIKey of 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is LSTIFOUINSNGRC-KRUZGXGJSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-12-38(13-3-1)51(40-24-27-43-44-26-23-34-10-6-7-14-42(34)50(44)53-48(43)31-40)39-25-28-46-45(30-39)49-41(15-8-16-47(49)52-46)35-20-17-33(18-21-35)37-22-19-32-9-4-5-11-36(32)29-37/h1-31H/i6D,7D,10D,14D,23D,24D,26D,27D,31D.
What are the key properties of 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 686.86 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,10-nonadeuterio-N-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-2-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 166055364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).