2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole

C50H34N4O4 — CID 91202168

IUPAC2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole
SMILESCc1c(-c2nc3ccccc3o2)cc2cc(-c3nc4ccccc4o3)ccc2c1-c1c(C)c(C2Nc3ccccc3O2)cc2cc(C3Nc4ccccc4O3)ccc12
InChIInChI=1S/C50H34N4O4/c1-27-35(49-53-39-13-5-9-17-43(39)57-49)25-31-23-29(47-51-37-11-3-7-15-41(37)55-47)19-21-33(31)45(27)46-28(2)36(50-54-40-14-6-10-18-44(40)58-50)26-32-24-30(20-22-34(32)46)48-52-38-12-4-8-16-42(38)56-48/h3-26,47,49,51,53H,1-2H3
InChIKeyOZGUZAFQBXIFGJ-UHFFFAOYSA-N
MW754.85 g/mol
LogP12.90
Rot. Bonds5

About 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole

2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole (PubChem CID 91202168) has the molecular formula C50H34N4O4 and a molecular weight of 754.85 g/mol. Its IUPAC name is 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole
PubChem CID91202168
Molecular FormulaC50H34N4O4
Molecular Weight754.85 g/mol
Exact Mass754.26
IUPAC Name2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole
SMILESCc1c(-c2nc3ccccc3o2)cc2cc(-c3nc4ccccc4o3)ccc2c1-c1c(C)c(C2Nc3ccccc3O2)cc2cc(C3Nc4ccccc4O3)ccc12
InChIInChI=1S/C50H34N4O4/c1-27-35(49-53-39-13-5-9-17-43(39)57-49)25-31-23-29(47-51-37-11-3-7-15-41(37)55-47)19-21-33(31)45(27)46-28(2)36(50-54-40-14-6-10-18-44(40)58-50)26-32-24-30(20-22-34(32)46)48-52-38-12-4-8-16-42(38)56-48/h3-26,47,49,51,53H,1-2H3
InChIKeyOZGUZAFQBXIFGJ-UHFFFAOYSA-N
XLogP12.90
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 512.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

Fluorescent brightener 367
CID 78769
methyl N-[(1S)-1-[(2S,4S)-2-[6-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491515
{(R)-1-[(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-carbonyl)-pentylcarbamoyl]-4-(4-methyl-benzyloxy)-pyrrolidine-1-carbonyl]-3-phenyl-propyl}-carbamic acid benzyl ester
CID 44563632
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(2-naphthalen-2-yl-oxazol-4-ylmethyl)-amine
CID 11048488
3-Methoxy-N-[2-(naphthalen-2-YL)-1,3-benzoxazol-5-YL]benzamide
CID 15991077
methyl N-[(1S)-1-[(2S,4S)-2-[5-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491507
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 15987512
(E)-1,2-bis(4-(5-(2,4,4-trimethylpentan-2-yl)benzo[d]oxazol-2-yl)phenyl)ethene
CID 107594
2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]
CID 6436902
5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
CID 46400
N-[4-(1,3-benzoxazol-2-yl)benzyl]-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 2232288
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-naphthamide
CID 2263618

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole (CID 91202168) is 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole is Cc1c(-c2nc3ccccc3o2)cc2cc(-c3nc4ccccc4o3)ccc2c1-c1c(C)c(C2Nc3ccccc3O2)cc2cc(C3Nc4ccccc4O3)ccc12.
What is the InChIKey of 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is OZGUZAFQBXIFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O4/c1-27-35(49-53-39-13-5-9-17-43(39)57-49)25-31-23-29(47-51-37-11-3-7-15-41(37)55-47)19-21-33(31)45(27)46-28(2)36(50-54-40-14-6-10-18-44(40)58-50)26-32-24-30(20-22-34(32)46)48-52-38-12-4-8-16-42(38)56-48/h3-26,47,49,51,53H,1-2H3.
What are the key properties of 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole?
2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 754.85 g/mol, XLogP of 12.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,3-benzoxazol-2-yl)-4-[3,6-bis(2,3-dihydro-1,3-benzoxazol-2-yl)-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 91202168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).