2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

C50H33NO — CID 167330058

IUPAC2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-16-8-17-40(33-39)35-23-28-41(29-24-35)51(47-21-9-15-36-13-4-6-18-43(36)47)42-30-25-38(26-31-42)44-20-10-22-48-49(44)46-32-27-37-14-5-7-19-45(37)50(46)52-48/h1-33H/i4D,6D,9D,13D,15D,18D,21D
InChIKeyXBZDNBMOHPEDPT-YMSYLSHCSA-N
MW670.86 g/mol
LogP14.36
Rot. Bonds6

About 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 167330058) has the molecular formula C50H33NO and a molecular weight of 670.86 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID167330058
Molecular FormulaC50H33NO
Molecular Weight670.86 g/mol
Exact Mass670.30
IUPAC Name2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-16-8-17-40(33-39)35-23-28-41(29-24-35)51(47-21-9-15-36-13-4-6-18-43(36)47)42-30-25-38(26-31-42)44-20-10-22-48-49(44)46-32-27-37-14-5-7-19-45(37)50(46)52-48/h1-33H/i4D,6D,9D,13D,15D,18D,21D
InChIKeyXBZDNBMOHPEDPT-YMSYLSHCSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
2,3,4,5,6,7,8-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 170676821
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881
2,3,4,5,6,7,8-heptadeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167331237
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylaniline
CID 167331137
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167330996

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 167330058) is 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is XBZDNBMOHPEDPT-YMSYLSHCSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-16-8-17-40(33-39)35-23-28-41(29-24-35)51(47-21-9-15-36-13-4-6-18-43(36)47)42-30-25-38(26-31-42)44-20-10-22-48-49(44)46-32-27-37-14-5-7-19-45(37)50(46)52-48/h1-33H/i4D,6D,9D,13D,15D,18D,21D.
What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 670.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptadeuterio-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167330058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).