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

C44H29NO — CID 171737925

IUPACN-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C44H29NO/c1-2-12-32(13-3-1)37-16-8-9-18-40(37)45(36-26-23-31(24-27-36)35-22-21-30-11-4-5-15-34(30)29-35)41-19-10-20-42-43(41)39-28-25-33-14-6-7-17-38(33)44(39)46-42/h1-29H/i8D,9D,16D,18D
InChIKeyRVWRYUKTYWSDKZ-OUIZTCLUSA-N
MW591.75 g/mol
LogP12.70
Rot. Bonds5

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

N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737925) has the molecular formula C44H29NO and a molecular weight of 591.75 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737925
Molecular FormulaC44H29NO
Molecular Weight591.75 g/mol
Exact Mass591.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C44H29NO/c1-2-12-32(13-3-1)37-16-8-9-18-40(37)45(36-26-23-31(24-27-36)35-22-21-30-11-4-5-15-34(30)29-35)41-19-10-20-42-43(41)39-28-25-33-14-6-7-17-38(33)44(39)46-42/h1-29H/i8D,9D,16D,18D
InChIKeyRVWRYUKTYWSDKZ-OUIZTCLUSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737811
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739514
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738789
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-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 176587657

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737925) is N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccccc2)c1[2H].
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is RVWRYUKTYWSDKZ-OUIZTCLUSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-32(13-3-1)37-16-8-9-18-40(37)45(36-26-23-31(24-27-36)35-22-21-30-11-4-5-15-34(30)29-35)41-19-10-20-42-43(41)39-28-25-33-14-6-7-17-38(33)44(39)46-42/h1-29H/i8D,9D,16D,18D.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 591.75 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).